Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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9,10-Anthraquinone-2-sulfonic acid sodium salt hydrate, 97% (dry wt.), water ca 4-6%

CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.255 MDL Number: MFCD00149068 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate PubChem CID: 23661981 IUPAC Name: sodium;9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]

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PubChem CID	23661981
CAS	153277-35-1
Molecular Weight (g/mol)	310.255
MDL Number	MFCD00149068
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
Synonym	sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate
IUPAC Name	sodium;9,10-dioxoanthracene-2-sulfonate
InChI Key	GGCZERPQGJTIQP-UHFFFAOYSA-M
Molecular Formula	C14H7NaO5S

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1-(2-Thenoyl)-3,3,3-trifluoroacetone, 99% (dry wt.) may cont. up to ca 2% water

CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1

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Specifications

PubChem CID	5601
CAS	326-91-0
Molecular Weight (g/mol)	222.18
MDL Number	MFCD00005445
SMILES	FC(F)(F)C(=O)CC(=O)C1=CC=CS1
Synonym	2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone
IUPAC Name	4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
InChI Key	TXBBUSUXYMIVOS-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2S

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2'-Fluoro-4'-methoxyacetophenone, 99%, Thermo Scientific™

CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C(C)=O)C(F)=C1

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Specifications

PubChem CID	592821
CAS	74457-86-6
Molecular Weight (g/mol)	168.17
MDL Number	MFCD00042290
SMILES	COC1=CC=C(C(C)=O)C(F)=C1
Synonym	2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344
IUPAC Name	1-(2-fluoro-4-methoxyphenyl)ethanone
InChI Key	PIRRWUMTIBFCCW-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

Phenylglyoxal Monohydrate 98.0+%, TCI America™

CAS: 1075-06-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00149499 InChI Key: NBIBDIKAOBCFJN-UHFFFAOYSA-N Synonym: dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone PubChem CID: 99611 IUPAC Name: 2,2-dihydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(O)O

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PubChem CID	99611
CAS	1075-06-5
Molecular Weight (g/mol)	152.149
MDL Number	MFCD00149499
SMILES	C1=CC=C(C=C1)C(=O)C(O)O
Synonym	dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone
IUPAC Name	2,2-dihydroxy-1-phenylethanone
InChI Key	NBIBDIKAOBCFJN-UHFFFAOYSA-N
Molecular Formula	C8H8O3

Sodium Anthraquinone-2-sulfonate Monohydrate 98.0+%, TCI America™

CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.25 MDL Number: MFCD00001229 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate,anthraquinone-2-sulfonic acid sodium salt monohydrate,sodium anthraquinone-2-sulfonate monohydrate,sodium 9,10-dioxoanthracene-2-sulfonate hydrate,9,10-anthraquinone-2-sulfonic acid sodium salt hydrate,anthraquinone-2-sulfonic acid, sodium salt, monohydrate,9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt,acmc-209bkc,c14h8o5s.na.h2o,anthraquinone-2-sulfonic acid sodium salt hydrate PubChem CID: 23666331 IUPAC Name: sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1

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Specifications

PubChem CID	23666331
CAS	153277-35-1
Molecular Weight (g/mol)	310.25
MDL Number	MFCD00001229
SMILES	[Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1
Synonym	sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate,anthraquinone-2-sulfonic acid sodium salt monohydrate,sodium anthraquinone-2-sulfonate monohydrate,sodium 9,10-dioxoanthracene-2-sulfonate hydrate,9,10-anthraquinone-2-sulfonic acid sodium salt hydrate,anthraquinone-2-sulfonic acid, sodium salt, monohydrate,9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt,acmc-209bkc,c14h8o5s.na.h2o,anthraquinone-2-sulfonic acid sodium salt hydrate
IUPAC Name	sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
InChI Key	GGCZERPQGJTIQP-UHFFFAOYSA-M
Molecular Formula	C14H7NaO5S

2',4',6'-Trihydroxyacetophenone Monohydrate 98.0+%, TCI America™

CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=C(O)C=C(O)C=C1O

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Specifications

PubChem CID	68073
CAS	480-66-0
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:64344
MDL Number	MFCD00002287
SMILES	CC(=O)C1=C(O)C=C(O)C=C1O
Synonym	1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone
IUPAC Name	1-(2,4,6-trihydroxyphenyl)ethan-1-one
InChI Key	XLEYFDVVXLMULC-UHFFFAOYSA-N
Molecular Formula	C8H8O4

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Purpurin

CAS: 81-54-9 Molecular Formula: C₁₄H₈O₅ Molecular Weight (g/mol): 256.2 MDL Number: MFCD00001203 InChI Key: BBNQQADTFFCFGB-UHFFFAOYSA-N Synonym: purpurin,1,2,4-trihydroxyanthraquinone,purpurine,verantin,hydroxylizaric acid,smoke brown g,1,2,4-trihydroxy-9,10-anthracenedione,1,2,4-trihydroxy-9,10-anthraquinone,1,2,4-trihydroxyanthrachinon,9,10-anthracenedione, 1,2,4-trihydroxy PubChem CID: 6683 ChEBI: CHEBI:8645 IUPAC Name: 1,2,4-trihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O

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Specifications

PubChem CID	6683
CAS	81-54-9
Molecular Weight (g/mol)	256.2
ChEBI	CHEBI:8645
MDL Number	MFCD00001203
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O
Synonym	purpurin,1,2,4-trihydroxyanthraquinone,purpurine,verantin,hydroxylizaric acid,smoke brown g,1,2,4-trihydroxy-9,10-anthracenedione,1,2,4-trihydroxy-9,10-anthraquinone,1,2,4-trihydroxyanthrachinon,9,10-anthracenedione, 1,2,4-trihydroxy
IUPAC Name	1,2,4-trihydroxyanthracene-9,10-dione
InChI Key	BBNQQADTFFCFGB-UHFFFAOYSA-N
Molecular Formula	C₁₄H₈O₅

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Thermo Scientific Chemicals D(-)-Fructose, 99%

CAS: 57-48-7 Molecular Formula: C₆H₁₂O₆ Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

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PubChem CID	5984
CAS	57-48-7
Molecular Weight (g/mol)	180.16
ChEBI	CHEBI:48095
SMILES	C(C(C(C(C(=O)CO)O)O)O)O
Synonym	d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
IUPAC Name	(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key	BJHIKXHVCXFQLS-UYFOZJQFSA-N
Molecular Formula	C₆H₁₂O₆

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Isatin, 98%

CAS: 91-56-5 Molecular Formula: C₈H₅NO₂ Molecular Weight (g/mol): 147.13 MDL Number: MFCD00005718 InChI Key: JXDYKVIHCLTXOP-UHFFFAOYSA-N Synonym: isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam PubChem CID: 7054 ChEBI: CHEBI:27539 IUPAC Name: 1H-indole-2,3-dione SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2

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Specifications

PubChem CID	7054
CAS	91-56-5
Molecular Weight (g/mol)	147.13
ChEBI	CHEBI:27539
MDL Number	MFCD00005718
SMILES	C1=CC=C2C(=C1)C(=O)C(=O)N2
Synonym	isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam
IUPAC Name	1H-indole-2,3-dione
InChI Key	JXDYKVIHCLTXOP-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₂

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Thermo Scientific Chemicals D-Fructose, 99%

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

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Specifications

PubChem CID	5984
CAS	57-48-7
Molecular Weight (g/mol)	180.156
ChEBI	CHEBI:48095
MDL Number	MFCD00148910
SMILES	C(C(C(C(C(=O)CO)O)O)O)O
Synonym	d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
IUPAC Name	(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key	BJHIKXHVCXFQLS-UYFOZJQFSA-N
Molecular Formula	C6H12O6

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Acetovanillone, 98%

CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O

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Specifications

PubChem CID	2214
CAS	498-02-2
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:2781
MDL Number	MFCD00008747
SMILES	COC1=CC(=CC=C1O)C(C)=O
Synonym	acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon
IUPAC Name	1-(4-hydroxy-3-methoxyphenyl)ethanone
InChI Key	DFYRUELUNQRZTB-UHFFFAOYSA-N
Molecular Formula	C9H10O3

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Acetophenone, 98%, pure

CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	7410
CAS	98-86-2
ChEBI	CHEBI:27632
MDL Number	MFCD00008724
SMILES	CC(=O)C1=CC=CC=C1
Synonym	acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
IUPAC Name	1-phenylethanone
InChI Key	KWOLFJPFCHCOCG-UHFFFAOYSA-N

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1,3-acetonedicarboxylic acid, 96%

CAS: 542-05-2 Molecular Formula: C₅H₆O₅ Molecular Weight (g/mol): 146.1 MDL Number: MFCD00002711 InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N Synonym: 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure PubChem CID: 68328 IUPAC Name: 3-oxopentanedioic acid SMILES: C(C(=O)CC(=O)O)C(=O)O

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Specifications

PubChem CID	68328
CAS	542-05-2
Molecular Weight (g/mol)	146.1
MDL Number	MFCD00002711
SMILES	C(C(=O)CC(=O)O)C(=O)O
Synonym	1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure
IUPAC Name	3-oxopentanedioic acid
InChI Key	OXTNCQMOKLOUAM-UHFFFAOYSA-N
Molecular Formula	C₅H₆O₅

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Pyruvic acid, 98%, extra pure

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

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Specifications

PubChem CID	1060
CAS	127-17-3
Molecular Weight (g/mol)	88.06
ChEBI	CHEBI:32816
MDL Number	MFCD00002585
SMILES	CC(=O)C(O)=O
Synonym	pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure
IUPAC Name	2-oxopropanoic acid
InChI Key	LCTONWCANYUPML-UHFFFAOYSA-N
Molecular Formula	C3H4O3

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1,3-Dichloroacetone, 96%

CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl

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Specifications

PubChem CID	10793
CAS	534-07-6
Molecular Weight (g/mol)	126.96
MDL Number	MFCD00000937
SMILES	ClCC(=O)CCl
Synonym	1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone
IUPAC Name	1,3-dichloropropan-2-one
InChI Key	SUNMBRGCANLOEG-UHFFFAOYSA-N
Molecular Formula	C3H4Cl2O

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