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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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4-Hydroxy-3-methoxycinnamic acid, 99%

CAS: 1135-24-6 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=C(C=CC(=C1)C=CC(=O)O)O

EDGE
PubChem CID 445858
CAS 1135-24-6
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:17620
MDL Number MFCD00004400
SMILES COC1=C(C=CC(=C1)C=CC(=O)O)O
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
2

phyproof™ trans-Cinnamic acid, ≥98% (HPLC), MilliporeSigma™ Supelco™

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

3

trans-Cinnamic Acid, Analytical Standard, ≥98.0% (HPLC), MilliporeSigma™ Supelco™

trans-Cinnamic acid occurs in plants, formed via deamination of L-phenylalanine in the presence of enzymatic catalyst, L-phenylalanine ammonia-lyase.

4

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
5

Tyrphostin C15

CAS: 149092-50-2 Molecular Formula: C19H15N3O3S2 Molecular Weight (g/mol): 397.47 MDL Number: MFCD01074971 InChI Key: KXDONFLNGBQLTN-UHFFFAOYSA-N Synonym: tyrphostin ag 825,tyrphostin c15,4-hydroxy-3-methoxy-5-benzothiazolylthiomethyl benzylidenecyanoacetamide,5-benzothiazol-2-yl thiomethyl-4-hydroxy-3-methoxybenzylidenecyanoacetamide,2e-3-3-1,3-benzothiazol-2-ylsulfanyl methyl-4-hydroxy-5-methoxyphenyl-2-cyanoprop-2-enamide,tocris-1555,biomolki_000008,biomolki2_000018,bmk1-b8,tyrphostin ag PubChem CID: 6091659 ChEBI: CHEBI:75405 IUPAC Name: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide SMILES: COC1=CC(C=C(C#N)C(N)=O)=CC(CSC2=NC3=CC=CC=C3S2)=C1O

PubChem CID 6091659
CAS 149092-50-2
Molecular Weight (g/mol) 397.47
ChEBI CHEBI:75405
MDL Number MFCD01074971
SMILES COC1=CC(C=C(C#N)C(N)=O)=CC(CSC2=NC3=CC=CC=C3S2)=C1O
Synonym tyrphostin ag 825,tyrphostin c15,4-hydroxy-3-methoxy-5-benzothiazolylthiomethyl benzylidenecyanoacetamide,5-benzothiazol-2-yl thiomethyl-4-hydroxy-3-methoxybenzylidenecyanoacetamide,2e-3-3-1,3-benzothiazol-2-ylsulfanyl methyl-4-hydroxy-5-methoxyphenyl-2-cyanoprop-2-enamide,tocris-1555,biomolki_000008,biomolki2_000018,bmk1-b8,tyrphostin ag
IUPAC Name 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide
InChI Key KXDONFLNGBQLTN-UHFFFAOYSA-N
Molecular Formula C19H15N3O3S2
6
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3-Methylcinnamic acid, 98%, Thermo Scientific™

CAS: 3029-79-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016844 InChI Key: JZINNAKNHHQBOS-AATRIKPKSA-N Synonym: 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e PubChem CID: 2063448 ChEBI: CHEBI:61118 IUPAC Name: (E)-3-(3-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=CC(=C1)C=CC(=O)O

PubChem CID 2063448
CAS 3029-79-6
Molecular Weight (g/mol) 162.19
ChEBI CHEBI:61118
MDL Number MFCD00016844
SMILES CC1=CC=CC(=C1)C=CC(=O)O
Synonym 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e
IUPAC Name (E)-3-(3-methylphenyl)prop-2-enoic acid
InChI Key JZINNAKNHHQBOS-AATRIKPKSA-N
Molecular Formula C10H10O2
7

trans-Cinnamic Acid 98.0+%, TCI America™

CAS: 140-10-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00004369 InChI Key: WBYWAXJHAXSJNI-VOTSOKGWSA-N Synonym: cinnamic acid,trans-cinnamic acid,e-cinnamic acid,3-phenylacrylic acid,trans-3-phenylacrylic acid,zimtsaeure,2e-3-phenylprop-2-enoic acid,3-phenylprop-2-enoic acid,3-phenylpropenoic acid PubChem CID: 444539 ChEBI: CHEBI:35697 IUPAC Name: (E)-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=CC(=O)O

PubChem CID 444539
CAS 140-10-3
Molecular Weight (g/mol) 148.161
ChEBI CHEBI:35697
MDL Number MFCD00004369
SMILES C1=CC=C(C=C1)C=CC(=O)O
Synonym cinnamic acid,trans-cinnamic acid,e-cinnamic acid,3-phenylacrylic acid,trans-3-phenylacrylic acid,zimtsaeure,2e-3-phenylprop-2-enoic acid,3-phenylprop-2-enoic acid,3-phenylpropenoic acid
IUPAC Name (E)-3-phenylprop-2-enoic acid
InChI Key WBYWAXJHAXSJNI-VOTSOKGWSA-N
Molecular Formula C9H8O2
8
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p-Methoxycinnamic acid, 98%, predominantly trans

CAS: 830-09-1 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=C1)C=CC(=O)O

PubChem CID 699414
CAS 830-09-1
Molecular Weight (g/mol) 178.19
MDL Number MFCD00004398
SMILES COC1=CC=C(C=C1)C=CC(=O)O
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
9

2,5-Dimethoxycinnamic Acid 97.0+%, TCI America™

CAS: 10538-51-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00004378 InChI Key: JPQWWJZORKTMIZ-ZZXKWVIFSA-N Synonym: 2,5-dimethoxycinnamic acid,3-2,5-dimethoxyphenyl acrylic acid,e-3-2,5-dimethoxyphenyl acrylic acid,2e-3-2,5-dimethoxyphenyl acrylic acid,3-2,5-dimethoxyphenyl-2-propenoic acid,2e-3-2,5-dimethoxyphenyl prop-2-enoic acid,3-2,5-dimethoxyphenyl prop-2-enoic acid,rarechem bk hc t324,timtec-bb sbb000471,trans-2,5-dimethoxycinnamic acid PubChem CID: 697594 IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=C(C=C1)OC)C=CC(=O)O

PubChem CID 697594
CAS 10538-51-9
Molecular Weight (g/mol) 208.213
MDL Number MFCD00004378
SMILES COC1=CC(=C(C=C1)OC)C=CC(=O)O
Synonym 2,5-dimethoxycinnamic acid,3-2,5-dimethoxyphenyl acrylic acid,e-3-2,5-dimethoxyphenyl acrylic acid,2e-3-2,5-dimethoxyphenyl acrylic acid,3-2,5-dimethoxyphenyl-2-propenoic acid,2e-3-2,5-dimethoxyphenyl prop-2-enoic acid,3-2,5-dimethoxyphenyl prop-2-enoic acid,rarechem bk hc t324,timtec-bb sbb000471,trans-2,5-dimethoxycinnamic acid
IUPAC Name (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
InChI Key JPQWWJZORKTMIZ-ZZXKWVIFSA-N
Molecular Formula C11H12O4
10

p-Coumaric Acid, 98+%, (Crystalline), MP Biomedicals

CAS: 7400-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O

PubChem CID 637542
CAS 7400-08-0
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:32374
SMILES C1=CC(=CC=C1C=CC(=O)O)O
Synonym p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid
IUPAC Name (E)-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI Key NGSWKAQJJWESNS-ZZXKWVIFSA-N
Molecular Formula C9H8O3
11

4-Nitrocinnamic Acid 99.0+%, TCI America™

CAS: 619-89-6 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 MDL Number: MFCD00007381 InChI Key: XMMRNCHTDONGRJ-ZZXKWVIFSA-N Synonym: 4-nitrocinnamic acid,3-4-nitrophenyl acrylic acid,p-nitrocinnamic acid,cinnamic acid, p-nitro,2-propenoic acid, 3-4-nitrophenyl,e-3-4-nitrophenyl acrylic acid,3-4-nitrophenyl propenoic acid,trans-4-nitrocinnamic acid,ccris 1665,2e-3-4-nitrophenyl prop-2-enoic acid PubChem CID: 737157 SMILES: C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-]

PubChem CID 737157
CAS 619-89-6
Molecular Weight (g/mol) 193.158
MDL Number MFCD00007381
SMILES C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-]
Synonym 4-nitrocinnamic acid,3-4-nitrophenyl acrylic acid,p-nitrocinnamic acid,cinnamic acid, p-nitro,2-propenoic acid, 3-4-nitrophenyl,e-3-4-nitrophenyl acrylic acid,3-4-nitrophenyl propenoic acid,trans-4-nitrocinnamic acid,ccris 1665,2e-3-4-nitrophenyl prop-2-enoic acid
InChI Key XMMRNCHTDONGRJ-ZZXKWVIFSA-N
Molecular Formula C9H7NO4
12

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
13

3-(2-Chloro-3,4-dimethoxyphenyl)acrylic acid, 97%, Thermo Scientific™

CAS: 99854-17-8 Molecular Formula: C11H10ClO4 Molecular Weight (g/mol): 241.65 MDL Number: MFCD00084947 InChI Key: JIPTVEJKXDVECY-GQCTYLIASA-M Synonym: 3-2-chloro-3,4-dimethoxyphenyl acrylic acid,2-chloro-3,4-dimethoxycinnamic acid,2e-3-2-chloro-3,4-dimethoxyphenyl prop-2-enoic acid,e-3-2-chloro-3,4-dimethoxyphenyl acrylic acid,e-3-2-chloro-3,4-dimethoxy-phenyl-acrylic acid,e-3-2-chloro-3,4-dimethoxyphenyl prop-2-enoic acid,2e-3-2-chloro-3,4-dimethoxyphenyl-2-propenoic acid PubChem CID: 5708524 IUPAC Name: (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(\C=C\C([O-])=O)C(Cl)=C1OC

PubChem CID 5708524
CAS 99854-17-8
Molecular Weight (g/mol) 241.65
MDL Number MFCD00084947
SMILES COC1=CC=C(\C=C\C([O-])=O)C(Cl)=C1OC
Synonym 3-2-chloro-3,4-dimethoxyphenyl acrylic acid,2-chloro-3,4-dimethoxycinnamic acid,2e-3-2-chloro-3,4-dimethoxyphenyl prop-2-enoic acid,e-3-2-chloro-3,4-dimethoxyphenyl acrylic acid,e-3-2-chloro-3,4-dimethoxy-phenyl-acrylic acid,e-3-2-chloro-3,4-dimethoxyphenyl prop-2-enoic acid,2e-3-2-chloro-3,4-dimethoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoic acid
InChI Key JIPTVEJKXDVECY-GQCTYLIASA-M
Molecular Formula C11H10ClO4
14
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4-Acetamidocinnamic acid, predominantly trans, 98%

CAS: 1918352 MDL Number: MFCD00016846 ChEBI: CHEBI:16388

CAS 1918352
ChEBI CHEBI:16388
MDL Number MFCD00016846
15
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2,3-Dimethoxycinnamic acid, predominantly trans, 98+%

CAS: 7345-82-6 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00004376 InChI Key: QAXPUWGAGVERSJ-VOTSOKGWSA-N Synonym: 2,3-dimethoxycinnamic acid,trans-2,3-dimethoxycinnamic acid,2e-3-2,3-dimethoxyphenyl acrylic acid,e-3-2,3-dimethoxyphenyl acrylic acid,2,3-dimethoxy cinnamic acid,3-2,3-dimethoxyphenyl acrylic acid,2e-3-2,3-dimethoxyphenyl prop-2-enoic acid,2-propenoic acid, 3-2,3-dimethoxyphenyl,e-3-2,3-dimethoxyphenyl prop-2-enoic acid,e-3-2,3-dimethoxy-phenyl-acrylic acid PubChem CID: 735842 IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC(=C1OC)C=CC(=O)O

PubChem CID 735842
CAS 7345-82-6
Molecular Weight (g/mol) 208.213
MDL Number MFCD00004376
SMILES COC1=CC=CC(=C1OC)C=CC(=O)O
Synonym 2,3-dimethoxycinnamic acid,trans-2,3-dimethoxycinnamic acid,2e-3-2,3-dimethoxyphenyl acrylic acid,e-3-2,3-dimethoxyphenyl acrylic acid,2,3-dimethoxy cinnamic acid,3-2,3-dimethoxyphenyl acrylic acid,2e-3-2,3-dimethoxyphenyl prop-2-enoic acid,2-propenoic acid, 3-2,3-dimethoxyphenyl,e-3-2,3-dimethoxyphenyl prop-2-enoic acid,e-3-2,3-dimethoxy-phenyl-acrylic acid
IUPAC Name (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
InChI Key QAXPUWGAGVERSJ-VOTSOKGWSA-N
Molecular Formula C11H12O4