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Carboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to an organic functional group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from carboxylic acids.
Monocarboxylic acids and derivatives (1,142)
Carboxylic acid amides (702)
Carboxylic acid esters (670)
Carboxylic acid salts (226)
Tricarboxylic acids and derivatives (198)
Tetracarboxylic acids and derivatives (183)
Carboxylic acid imides (142)
Carboxylic acid hydrazides (83)
Pentacarboxylic acids and derivatives (39)
Carboxylic acids (33)
Hydrazinecarboxylic acids and derivatives (27)
Fumonisins (5)
Dicarboxylic acids and derivatives (4)
Hexacarboxylic acids and derivatives (2)

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Cholesteryl nonanoate, Thermo Scientific Chemicals

CAS: 1182-66-7 Molecular Formula: C36H62O2 Molecular Weight (g/mol): 526.89 MDL Number: MFCD00003643 InChI Key: WCLNGBQPTVENHV-MKQVXYPISA-N Synonym: cholesteryl pelargonate,cholesteryl nonanoate,cholesterol pelargonate,unii-4313o7p4xw,5-cholesten-3beta-ol 3-nonanoate,cholesterol, nonanoate,3beta-hydroxy-5-cholestene 3-nonanoate,nonanoic acid cholesterol ester,pelargonic acid cholesterol ester,cholest-5-ene-3-beta-yl nonanoate PubChem CID: 2723614 IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate SMILES: CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

PubChem CID 2723614
CAS 1182-66-7
Molecular Weight (g/mol) 526.89
MDL Number MFCD00003643
SMILES CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
Synonym cholesteryl pelargonate,cholesteryl nonanoate,cholesterol pelargonate,unii-4313o7p4xw,5-cholesten-3beta-ol 3-nonanoate,cholesterol, nonanoate,3beta-hydroxy-5-cholestene 3-nonanoate,nonanoic acid cholesterol ester,pelargonic acid cholesterol ester,cholest-5-ene-3-beta-yl nonanoate
IUPAC Name [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate
InChI Key WCLNGBQPTVENHV-MKQVXYPISA-N
Molecular Formula C36H62O2
2
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Hexanamide, 98%, Thermo Scientific™

CAS: 628-02-4 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.18 MDL Number: MFCD00008046 InChI Key: ALBYIUDWACNRRB-UHFFFAOYSA-N Synonym: capronamide,hexamide,hexylamide,n-caproamide,caproamide,n-hexanamide,hexamide van,hexanoamide,n-capronamide,n-caproic amide PubChem CID: 12332 IUPAC Name: hexanamide SMILES: CCCCCC(=O)N

PubChem CID 12332
CAS 628-02-4
Molecular Weight (g/mol) 115.18
MDL Number MFCD00008046
SMILES CCCCCC(=O)N
Synonym capronamide,hexamide,hexylamide,n-caproamide,caproamide,n-hexanamide,hexamide van,hexanoamide,n-capronamide,n-caproic amide
IUPAC Name hexanamide
InChI Key ALBYIUDWACNRRB-UHFFFAOYSA-N
Molecular Formula C6H13NO
3

(-)-Epicatechin gallate, Thermo Scientific Chemicals

CAS: 1257-08-5 Molecular Formula: C22H18O10 Molecular Weight (g/mol): 442.376 MDL Number: MFCD00075936 InChI Key: LSHVYAFMTMFKBA-TZIWHRDSSA-N Synonym: =--epicatechin gallate,epicatechin gallate,=--epicatechin-3-o-gallate,l-epicatechin gallate,=--epicatechin-3-gallate,=--epicatechingallate,epicatechin monogallate,--epicatechin 3-o-gallate,teatannin,epicatechol, gallate PubChem CID: 107905 ChEBI: CHEBI:70255 IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

PubChem CID 107905
CAS 1257-08-5
Molecular Weight (g/mol) 442.376
ChEBI CHEBI:70255
MDL Number MFCD00075936
SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Synonym =--epicatechin gallate,epicatechin gallate,=--epicatechin-3-o-gallate,l-epicatechin gallate,=--epicatechin-3-gallate,=--epicatechingallate,epicatechin monogallate,--epicatechin 3-o-gallate,teatannin,epicatechol, gallate
IUPAC Name [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChI Key LSHVYAFMTMFKBA-TZIWHRDSSA-N
Molecular Formula C22H18O10
4

A-803467, 98%, Thermo Scientific Chemicals

CAS: 944261-79-4 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 MDL Number: MFCD10574689 InChI Key: VHKBTPQDHDSBSP-UHFFFAOYSA-N PubChem CID: 16038374 IUPAC Name: 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide SMILES: COC1=CC(OC)=CC(NC(=O)C2=CC=C(O2)C2=CC=C(Cl)C=C2)=C1

PubChem CID 16038374
CAS 944261-79-4
Molecular Weight (g/mol) 357.79
MDL Number MFCD10574689
SMILES COC1=CC(OC)=CC(NC(=O)C2=CC=C(O2)C2=CC=C(Cl)C=C2)=C1
IUPAC Name 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
InChI Key VHKBTPQDHDSBSP-UHFFFAOYSA-N
Molecular Formula C19H16ClNO4
5

3-Methylbutanamide, 97%, Thermo Scientific™

CAS: 541-46-8 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00014807 InChI Key: SANOUVWGPVYVAV-UHFFFAOYSA-N Synonym: isovaleramide,butanamide, 3-methyl,3-methylbutyramide,isovaleric amide,isopentanamide,beta-methylbutyramide,isovaleric acid amide,unii-9cp4kb634m,isovaleramide usan,.beta.-methylbutyramide PubChem CID: 10930 IUPAC Name: 3-methylbutanamide SMILES: CC(C)CC(=O)N

PubChem CID 10930
CAS 541-46-8
Molecular Weight (g/mol) 101.149
MDL Number MFCD00014807
SMILES CC(C)CC(=O)N
Synonym isovaleramide,butanamide, 3-methyl,3-methylbutyramide,isovaleric amide,isopentanamide,beta-methylbutyramide,isovaleric acid amide,unii-9cp4kb634m,isovaleramide usan,.beta.-methylbutyramide
IUPAC Name 3-methylbutanamide
InChI Key SANOUVWGPVYVAV-UHFFFAOYSA-N
Molecular Formula C5H11NO
6

Methyle3,4-diaminobenzoate, 97%, Thermo Scientific™

CAS: 36692-49-6 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017098 InChI Key: IOPLHGOSNCJOOO-UHFFFAOYSA-N Synonym: 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate PubChem CID: 135524 IUPAC Name: methyl 3,4-diaminobenzoate SMILES: COC(=O)C1=CC=C(N)C(N)=C1

PubChem CID 135524
CAS 36692-49-6
Molecular Weight (g/mol) 166.18
MDL Number MFCD00017098
SMILES COC(=O)C1=CC=C(N)C(N)=C1
Synonym 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate
IUPAC Name methyl 3,4-diaminobenzoate
InChI Key IOPLHGOSNCJOOO-UHFFFAOYSA-N
Molecular Formula C8H10N2O2
7
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6-chlorooxindole, 98%, Thermo Scientific™

CAS: 56341-37-8 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.59 MDL Number: MFCD00209962 InChI Key: CENVPIZOTHULGJ-UHFFFAOYSA-N Synonym: 6-chlorooxindole,6-chloroindolin-2-one,6-chloro-2-oxindole,6-chloro-2-indolinone,6-chloro-1,3-dihydro-2h-indol-2-one,6-chloro 2-oxindole,2h-indol-2-one, 6-chloro-1,3-dihydro,6-chloro-1,3-dihydro-indol-2-one,6-chloroindole-2 3h-one,6-chloro-2,3-dihydro-1h-indol-2-one PubChem CID: 736344 IUPAC Name: 6-chloro-1,3-dihydroindol-2-one SMILES: C1C2=C(C=C(C=C2)Cl)NC1=O

PubChem CID 736344
CAS 56341-37-8
Molecular Weight (g/mol) 167.59
MDL Number MFCD00209962
SMILES C1C2=C(C=C(C=C2)Cl)NC1=O
Synonym 6-chlorooxindole,6-chloroindolin-2-one,6-chloro-2-oxindole,6-chloro-2-indolinone,6-chloro-1,3-dihydro-2h-indol-2-one,6-chloro 2-oxindole,2h-indol-2-one, 6-chloro-1,3-dihydro,6-chloro-1,3-dihydro-indol-2-one,6-chloroindole-2 3h-one,6-chloro-2,3-dihydro-1h-indol-2-one
IUPAC Name 6-chloro-1,3-dihydroindol-2-one
InChI Key CENVPIZOTHULGJ-UHFFFAOYSA-N
Molecular Formula C8H6ClNO
8
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Naproxen sodium, 98%, Thermo Scientific Chemicals

CAS: 26159-34-2 Molecular Formula: C14H13NaO3 Molecular Weight (g/mol): 252.25 MDL Number: MFCD00058507 InChI Key: CDBRNDSHEYLDJV-FVGYRXGTSA-M Synonym: naproxen sodium,anaprox,miranax,naprelan,naproxen sodium salt,anapran,anaprotab,aprowell,floginex,flogogin PubChem CID: 23681059 ChEBI: CHEBI:7477 IUPAC Name: sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate SMILES: [Na+].COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C([O-])=O

PubChem CID 23681059
CAS 26159-34-2
Molecular Weight (g/mol) 252.25
ChEBI CHEBI:7477
MDL Number MFCD00058507
SMILES [Na+].COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C([O-])=O
Synonym naproxen sodium,anaprox,miranax,naprelan,naproxen sodium salt,anapran,anaprotab,aprowell,floginex,flogogin
IUPAC Name sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate
InChI Key CDBRNDSHEYLDJV-FVGYRXGTSA-M
Molecular Formula C14H13NaO3
9

5-Bromooxindole, 97%, Thermo Scientific™

CAS: 20870-78-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 InChI Key: VIMNAEVMZXIKFL-UHFFFAOYSA-N Synonym: 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one PubChem CID: 611193 IUPAC Name: 5-bromo-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)Br)NC1=O

PubChem CID 611193
CAS 20870-78-4
Molecular Weight (g/mol) 212.046
SMILES C1C2=C(C=CC(=C2)Br)NC1=O
Synonym 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one
IUPAC Name 5-bromo-1,3-dihydroindol-2-one
InChI Key VIMNAEVMZXIKFL-UHFFFAOYSA-N
Molecular Formula C8H6BrNO
10
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6-chloronicotinamide, 98%, Thermo Scientific™

CAS: 6271-78-9 Molecular Formula: C6H5ClN2O Molecular Weight (g/mol): 156.57 MDL Number: MFCD00006242 InChI Key: ZIJAZUBWHAZHPL-UHFFFAOYSA-N Synonym: 6-chloronicotinamide,3-pyridinecarboxamide, 6-chloro,nicotinamide, 6-chloro,6-chloro-3-pyridinecarboxamide,6-chloro-nicotinamide,acmc-1b4gd,6-chloronicotinic acid amide,3-carbamoyl-6-chloropyridine,ksc492o5t PubChem CID: 80456 IUPAC Name: 6-chloropyridine-3-carboxamide SMILES: NC(=O)C1=CC=C(Cl)N=C1

PubChem CID 80456
CAS 6271-78-9
Molecular Weight (g/mol) 156.57
MDL Number MFCD00006242
SMILES NC(=O)C1=CC=C(Cl)N=C1
Synonym 6-chloronicotinamide,3-pyridinecarboxamide, 6-chloro,nicotinamide, 6-chloro,6-chloro-3-pyridinecarboxamide,6-chloro-nicotinamide,acmc-1b4gd,6-chloronicotinic acid amide,3-carbamoyl-6-chloropyridine,ksc492o5t
IUPAC Name 6-chloropyridine-3-carboxamide
InChI Key ZIJAZUBWHAZHPL-UHFFFAOYSA-N
Molecular Formula C6H5ClN2O
11
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2-Chlorobutyramide, 98%, Thermo Scientific Chemicals

CAS: 7462-73-9 Molecular Formula: C4H8ClNO Molecular Weight (g/mol): 121.564 MDL Number: MFCD00041477 InChI Key: VJIOSCMTZVXQQU-UHFFFAOYSA-N Synonym: 2-chlorobutyramide PubChem CID: 344969 IUPAC Name: 2-chlorobutanamide SMILES: CCC(C(=O)N)Cl

PubChem CID 344969
CAS 7462-73-9
Molecular Weight (g/mol) 121.564
MDL Number MFCD00041477
SMILES CCC(C(=O)N)Cl
Synonym 2-chlorobutyramide
IUPAC Name 2-chlorobutanamide
InChI Key VJIOSCMTZVXQQU-UHFFFAOYSA-N
Molecular Formula C4H8ClNO
12
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5-Hydroxyoxindole, 96%, Thermo Scientific Chemicals

CAS: 3416-18-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 InChI Key: ZGTUSQAQXWSMDW-UHFFFAOYSA-N Synonym: 5-hydroxyoxindole,5-hydroxyindolin-2-one,5-hydroxy-1,3-dihydro-indol-2-one,2,3-dihydro-5-hydroxyindol-2-one,5-hydroxy-2-oxyindole,5-hydroxy-2-indolinone,5-hydroxy-1,3-dihydro-2h-indol-2-one,5-hydroxy-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-hydroxy,5-hydroxy-oxindole PubChem CID: 76955 IUPAC Name: 5-hydroxy-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)O)NC1=O

PubChem CID 76955
CAS 3416-18-0
Molecular Weight (g/mol) 149.15
SMILES C1C2=C(C=CC(=C2)O)NC1=O
Synonym 5-hydroxyoxindole,5-hydroxyindolin-2-one,5-hydroxy-1,3-dihydro-indol-2-one,2,3-dihydro-5-hydroxyindol-2-one,5-hydroxy-2-oxyindole,5-hydroxy-2-indolinone,5-hydroxy-1,3-dihydro-2h-indol-2-one,5-hydroxy-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-hydroxy,5-hydroxy-oxindole
IUPAC Name 5-hydroxy-1,3-dihydroindol-2-one
InChI Key ZGTUSQAQXWSMDW-UHFFFAOYSA-N
Molecular Formula C8H7NO2
13
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4-Methyloxindole, 95%, Thermo Scientific Chemicals

CAS: 13220-46-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD09835631 InChI Key: USRZZPHRQZGXFH-UHFFFAOYSA-N Synonym: 4-methylindolin-2-one,4-methyloxindole,4-methyl-2-oxo-1,2-dihydro-indole,2h-indol-2-one, 1,3-dihydro-4-methyl,4-methylindolinon,4-methyl-oxindole,4-methyl-2-oxindole,4-methyl-1,3-dihydro-indol-2-one,4-methyl-1,3-dihydro-indole-2-one,4-methyl-2,3-dihydro-1h-indol-2-one PubChem CID: 12579382 IUPAC Name: 4-methyl-2,3-dihydro-1H-indol-2-one SMILES: CC1=C2CC(=O)NC2=CC=C1

PubChem CID 12579382
CAS 13220-46-7
Molecular Weight (g/mol) 147.18
MDL Number MFCD09835631
SMILES CC1=C2CC(=O)NC2=CC=C1
Synonym 4-methylindolin-2-one,4-methyloxindole,4-methyl-2-oxo-1,2-dihydro-indole,2h-indol-2-one, 1,3-dihydro-4-methyl,4-methylindolinon,4-methyl-oxindole,4-methyl-2-oxindole,4-methyl-1,3-dihydro-indol-2-one,4-methyl-1,3-dihydro-indole-2-one,4-methyl-2,3-dihydro-1h-indol-2-one
IUPAC Name 4-methyl-2,3-dihydro-1H-indol-2-one
InChI Key USRZZPHRQZGXFH-UHFFFAOYSA-N
Molecular Formula C9H9NO
14
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N-Ethylphthalimide, 98%, Thermo Scientific Chemicals

CAS: 5022-29-7 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00014583 InChI Key: JZDSOQSUCWVBMV-UHFFFAOYSA-N Synonym: n-ethylphthalimide,2-ethylisoindoline-1,3-dione,phthalimide, n-ethyl,1h-isoindole-1,3 2h-dione, 2-ethyl,2-ethyl-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, n-ethyl,2-ethylbenzo c azoline-1,3-dione,acmc-1az90,1h-isoindole-1, n-ethyl PubChem CID: 21120 IUPAC Name: 2-ethylisoindole-1,3-dione SMILES: CCN1C(=O)C2=CC=CC=C2C1=O

PubChem CID 21120
CAS 5022-29-7
Molecular Weight (g/mol) 175.187
MDL Number MFCD00014583
SMILES CCN1C(=O)C2=CC=CC=C2C1=O
Synonym n-ethylphthalimide,2-ethylisoindoline-1,3-dione,phthalimide, n-ethyl,1h-isoindole-1,3 2h-dione, 2-ethyl,2-ethyl-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, n-ethyl,2-ethylbenzo c azoline-1,3-dione,acmc-1az90,1h-isoindole-1, n-ethyl
IUPAC Name 2-ethylisoindole-1,3-dione
InChI Key JZDSOQSUCWVBMV-UHFFFAOYSA-N
Molecular Formula C10H9NO2
15
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N-Methylphthalimide, 98%, Thermo Scientific Chemicals

CAS: 550-44-7 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00023063 InChI Key: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N Synonym: n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u PubChem CID: 11074 IUPAC Name: 2-methylisoindole-1,3-dione SMILES: CN1C(=O)C2=CC=CC=C2C1=O

PubChem CID 11074
CAS 550-44-7
Molecular Weight (g/mol) 161.16
MDL Number MFCD00023063
SMILES CN1C(=O)C2=CC=CC=C2C1=O
Synonym n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u
IUPAC Name 2-methylisoindole-1,3-dione
InChI Key ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Molecular Formula C9H7NO2