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Cinnamic acids and derivatives

Organic compounds that contain a benzene ring bonded to an alkene bonded to a carboxylic acid in the following structure: C6H5CH=CHCOOH. Includes compounds that are derived from cinnamic acids.
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1
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Curcumin, Spectrum™ Chemical

CAS: 458-37-7

CAS 458-37-7
2

Tyrphostin B46, 98+%, Thermo Scientific Chemicals

CAS: 133550-34-2 Molecular Formula: C19H18N2O3 Molecular Weight (g/mol): 322.364 MDL Number: MFCD00209865 InChI Key: GSQOBTOAOGXIFL-WJDWOHSUSA-N Synonym: tyrphostin b46,z-2-cyano-3-3,4-dihydroxyphenyl-n-3-phenylpropyl prop-2-enamide,n-3 inverted exclamation marka-phenylpropyl-3,4-dihydroxybenzylidenecyanoacetamide PubChem CID: 5353390 IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

PubChem CID 5353390
CAS 133550-34-2
Molecular Weight (g/mol) 322.364
MDL Number MFCD00209865
SMILES C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Synonym tyrphostin b46,z-2-cyano-3-3,4-dihydroxyphenyl-n-3-phenylpropyl prop-2-enamide,n-3 inverted exclamation marka-phenylpropyl-3,4-dihydroxybenzylidenecyanoacetamide
IUPAC Name (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
InChI Key GSQOBTOAOGXIFL-WJDWOHSUSA-N
Molecular Formula C19H18N2O3
4
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1,4-Benzenediacrylic acid, 98%, Thermo Scientific Chemicals

CAS: 16323-43-6 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00002698 InChI Key: AAFXQFIGKBLKMC-KQQUZDAGSA-N Synonym: 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid PubChem CID: 759280 IUPAC Name: (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O

PubChem CID 759280
CAS 16323-43-6
Molecular Weight (g/mol) 218.208
MDL Number MFCD00002698
SMILES C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O
Synonym 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid
IUPAC Name (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
InChI Key AAFXQFIGKBLKMC-KQQUZDAGSA-N
Molecular Formula C12H10O4
5

alpha-Cyano-4-hydroxycinnamic acid, Ultrapure MALDI Matrix, Thermo Scientific Chemicals

CAS: 28166-41-8 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00004204 InChI Key: AFVLVVWMAFSXCK-YVMONPNESA-N Synonym: alpha-cyano-4-hydroxycinnamate,2-cyano-4-hydroxycinnamate,2-cyano-3-4-hydroxyphe-nyl acrylic acid,2z-2-cyano-3-4-hydroxyphenyl prop-2-enoic acid PubChem CID: 9794103 IUPAC Name: (Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)O

PubChem CID 9794103
CAS 28166-41-8
Molecular Weight (g/mol) 189.17
MDL Number MFCD00004204
SMILES C1=CC(=CC=C1C=C(C#N)C(=O)O)O
Synonym alpha-cyano-4-hydroxycinnamate,2-cyano-4-hydroxycinnamate,2-cyano-3-4-hydroxyphe-nyl acrylic acid,2z-2-cyano-3-4-hydroxyphenyl prop-2-enoic acid
IUPAC Name (Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI Key AFVLVVWMAFSXCK-YVMONPNESA-N
Molecular Formula C10H7NO3
6
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trans-4-Methoxycinnamic acid, 98%

CAS: 943-89-5 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(\C=C\C(O)=O)C=C1

PubChem CID 699414
CAS 943-89-5
Molecular Weight (g/mol) 178.19
MDL Number MFCD00004398
SMILES COC1=CC=C(\C=C\C(O)=O)C=C1
Synonym 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI Key AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula C10H10O3
7
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trans-4-Hydroxy-3-methoxycinnamic acid, 99%

CAS: 537-98-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(\C=C\C(O)=O)=CC=C1O

PubChem CID 445858
CAS 537-98-4
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:17620
MDL Number MFCD00004400
SMILES COC1=CC(\C=C\C(O)=O)=CC=C1O
Synonym ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl
IUPAC Name (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
InChI Key KSEBMYQBYZTDHS-HWKANZROSA-N
Molecular Formula C10H10O4
8
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Curcumin, 95% (total curcuminoid content), from Turmeric rhizome

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

PubChem CID 969516
CAS 458-37-7
Molecular Weight (g/mol) 368.39
ChEBI CHEBI:3962
MDL Number MFCD00008365
SMILES COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
IUPAC Name (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
InChI Key ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula C21H20O6
9
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trans-4-(Trifluoromethyl)cinnamic acid, 98%

CAS: 16642-92-5 Molecular Formula: C10H6F3O2 Molecular Weight (g/mol): 215.15 MDL Number: MFCD00002696 InChI Key: ANRMAUMHJREENI-ZZXKWVIFSA-M Synonym: 4-trifluoromethyl cinnamic acid,trans-4-trifluoromethyl cinnamic acid,p-trifluoromethyl cinnamic acid,e-3-4-trifluoromethyl phenyl acrylic acid,2e-3-4-trifluoromethyl phenyl prop-2-enoic acid,4-trifluoromethylcinnamic acid,2-propenoic acid, 3-4-trifluoromethyl phenyl,3-4-trifluoromethyl-phenyl-acrylic acid,ptf-cna,trans-4-trifluoromethylcinnamic acid PubChem CID: 688070 ChEBI: CHEBI:60705 IUPAC Name: (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid SMILES: [O-]C(=O)\C=C\C1=CC=C(C=C1)C(F)(F)F

PubChem CID 688070
CAS 16642-92-5
Molecular Weight (g/mol) 215.15
ChEBI CHEBI:60705
MDL Number MFCD00002696
SMILES [O-]C(=O)\C=C\C1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl cinnamic acid,trans-4-trifluoromethyl cinnamic acid,p-trifluoromethyl cinnamic acid,e-3-4-trifluoromethyl phenyl acrylic acid,2e-3-4-trifluoromethyl phenyl prop-2-enoic acid,4-trifluoromethylcinnamic acid,2-propenoic acid, 3-4-trifluoromethyl phenyl,3-4-trifluoromethyl-phenyl-acrylic acid,ptf-cna,trans-4-trifluoromethylcinnamic acid
IUPAC Name (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI Key ANRMAUMHJREENI-ZZXKWVIFSA-M
Molecular Formula C10H6F3O2
10
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3,5-Di-tert-butyl-4-hydroxycinnamic acid, predominantly trans, 97%

CAS: 22014-01-3 Molecular Formula: C17H24O3 Molecular Weight (g/mol): 276.38 MDL Number: MFCD00017291 InChI Key: CTYWXRDQWMRIIM-BQYQJAHWSA-N Synonym: 3-3,5-di-tert-butyl-4-hydroxyphenyl acrylic acid,unii-k7zj1m9j5t,k7zj1m9j5t,3,5-di-tert-butyl-4-hydroxycinnamic acid,3,5-di-t-butyl-4-hydroxycinnamic acid,3,5-di-tert-butyl-4-hydroxycinnamic acid, predominantly trans,2e-3-3,5-di-tert-butyl-4-hydroxyphenyl prop-2-enoic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl prop-2-enoic acid,2e-3-3,5-bis tert-butyl-4-hydroxyphenyl prop-2-enoic acid,2e-3-3,5-ditert-butyl-4-hydroxyphenyl acrylic acid PubChem CID: 689095 IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid SMILES: CC(C)(C)C1=CC(\C=C\C(O)=O)=CC(=C1O)C(C)(C)C

PubChem CID 689095
CAS 22014-01-3
Molecular Weight (g/mol) 276.38
MDL Number MFCD00017291
SMILES CC(C)(C)C1=CC(\C=C\C(O)=O)=CC(=C1O)C(C)(C)C
Synonym 3-3,5-di-tert-butyl-4-hydroxyphenyl acrylic acid,unii-k7zj1m9j5t,k7zj1m9j5t,3,5-di-tert-butyl-4-hydroxycinnamic acid,3,5-di-t-butyl-4-hydroxycinnamic acid,3,5-di-tert-butyl-4-hydroxycinnamic acid, predominantly trans,2e-3-3,5-di-tert-butyl-4-hydroxyphenyl prop-2-enoic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl prop-2-enoic acid,2e-3-3,5-bis tert-butyl-4-hydroxyphenyl prop-2-enoic acid,2e-3-3,5-ditert-butyl-4-hydroxyphenyl acrylic acid
IUPAC Name (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
InChI Key CTYWXRDQWMRIIM-BQYQJAHWSA-N
Molecular Formula C17H24O3
11
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3-Methoxycinnamic acid, predominantly trans, 98+%

CAS: 1533748 MDL Number: MFCD00004386

CAS 1533748
MDL Number MFCD00004386
12
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(E)-3,4-Dihydroxybenzylideneacetone, 97%

CAS: 123694-03-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00916691 InChI Key: YIFZKRGUGKLILR-UHFFFAOYSA-N Synonym: 3-buten-2-one,4-3,4-dihydroxyphenyl-, 3e,3,4-dihydroxybenzalacetone,acmc-20dpit PubChem CID: 53446072 IUPAC Name: 4-(3,4-dihydroxyphenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC(=C(C=C1)O)O

PubChem CID 53446072
CAS 123694-03-1
Molecular Weight (g/mol) 178.187
MDL Number MFCD00916691
SMILES CC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym 3-buten-2-one,4-3,4-dihydroxyphenyl-, 3e,3,4-dihydroxybenzalacetone,acmc-20dpit
IUPAC Name 4-(3,4-dihydroxyphenyl)but-3-en-2-one
InChI Key YIFZKRGUGKLILR-UHFFFAOYSA-N
Molecular Formula C10H10O3
13
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3,4-Dichlorocinnamic acid, 97%, Thermo Scientific™

CAS: 1202-39-7 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.05 InChI Key: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonym: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid PubChem CID: 688027 IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl

PubChem CID 688027
CAS 1202-39-7
Molecular Weight (g/mol) 217.05
SMILES C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
Synonym 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid
IUPAC Name (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid
InChI Key RRLUFPHCTSFKNR-DUXPYHPUSA-N
Molecular Formula C9H6Cl2O2
14
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2-Fluorocinnamic acid, predominantly trans, 98%

CAS: 451-69-4 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00004370 InChI Key: IOUDZAFBPDDAMK-AATRIKPKSA-N Synonym: 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid PubChem CID: 735833 IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1F

PubChem CID 735833
CAS 451-69-4
Molecular Weight (g/mol) 166.15
MDL Number MFCD00004370
SMILES OC(=O)\C=C\C1=CC=CC=C1F
Synonym 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid
IUPAC Name (E)-3-(2-fluorophenyl)prop-2-enoic acid
InChI Key IOUDZAFBPDDAMK-AATRIKPKSA-N
Molecular Formula C9H7FO2
15
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2-Carboxycinnamic acid, predominantly trans, 97%

CAS: 612-40-8 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00004380 InChI Key: SCWPNMHQRGNQHH-AATRIKPKSA-N Synonym: 2-carboxycinnamic acid,2-2-carboxyvinyl benzoic acid,2-2-carboxyethenyl benzoic acid,e-2-2-carboxyvinyl benzoic acid,2-e-3-hydroxy-3-oxoprop-1-enyl benzoic acid,2-1e-2-carboxyvinyl benzoic acid,2-e-2-carboxyethenyl benzoic acid,2-1e-2-carboxyeth-1-en-1-yl benzoic acid,2-e-2-carboxyvinyl benzoicacid,2-carboxy cinnamic acid PubChem CID: 904938 IUPAC Name: 2-[(E)-2-carboxyethenyl]benzoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1C(O)=O

PubChem CID 904938
CAS 612-40-8
Molecular Weight (g/mol) 192.17
MDL Number MFCD00004380
SMILES OC(=O)\C=C\C1=CC=CC=C1C(O)=O
Synonym 2-carboxycinnamic acid,2-2-carboxyvinyl benzoic acid,2-2-carboxyethenyl benzoic acid,e-2-2-carboxyvinyl benzoic acid,2-e-3-hydroxy-3-oxoprop-1-enyl benzoic acid,2-1e-2-carboxyvinyl benzoic acid,2-e-2-carboxyethenyl benzoic acid,2-1e-2-carboxyeth-1-en-1-yl benzoic acid,2-e-2-carboxyvinyl benzoicacid,2-carboxy cinnamic acid
IUPAC Name 2-[(E)-2-carboxyethenyl]benzoic acid
InChI Key SCWPNMHQRGNQHH-AATRIKPKSA-N
Molecular Formula C10H8O4