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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trans-2-Methoxycinnamic acid, 98+%

CAS: 1011-54-7 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00064238 InChI Key: FEGVSPGUHMGGBO-VOTSOKGWSA-N Synonym: 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid PubChem CID: 734154 IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC=C1C=CC(=O)O

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Specifications

PubChem CID	734154
CAS	1011-54-7
Molecular Weight (g/mol)	178.187
MDL Number	MFCD00064238
SMILES	COC1=CC=CC=C1C=CC(=O)O
Synonym	2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid
IUPAC Name	(E)-3-(2-methoxyphenyl)prop-2-enoic acid
InChI Key	FEGVSPGUHMGGBO-VOTSOKGWSA-N
Molecular Formula	C10H10O3

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4-Hydroxy-3,5-dimethoxycinnamic acid, 98%

CAS: 530-59-6 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.212 MDL Number: MFCD00004401 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec PubChem CID: 637775 ChEBI: CHEBI:15714 IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O

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Specifications

PubChem CID	637775
CAS	530-59-6
Molecular Weight (g/mol)	224.212
ChEBI	CHEBI:15714
MDL Number	MFCD00004401
SMILES	COC1=CC(=CC(=C1O)OC)C=CC(=O)O
Synonym	sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec
IUPAC Name	(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
InChI Key	PCMORTLOPMLEFB-ONEGZZNKSA-N
Molecular Formula	C11H12O5

(E)-4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one 98.0+%, TCI America™

CAS: 22214-42-2 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 MDL Number: MFCD00012210 InChI Key: AFWKBSMFXWNGRE-UHFFFAOYSA-N Synonym: Dehydrozingerone, Vanillylideneacetone PubChem CID: 5354238 ChEBI: CHEBI:81361 IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one SMILES: COC1=C(O)C=CC(C=CC(C)=O)=C1

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Specifications

PubChem CID	5354238
CAS	22214-42-2
Molecular Weight (g/mol)	192.21
ChEBI	CHEBI:81361
MDL Number	MFCD00012210
SMILES	COC1=C(O)C=CC(C=CC(C)=O)=C1
Synonym	Dehydrozingerone, Vanillylideneacetone
IUPAC Name	4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
InChI Key	AFWKBSMFXWNGRE-UHFFFAOYSA-N
Molecular Formula	C11H12O3

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p-Hydroxycinnamic acid, 98%, predominantly trans

CAS: 501-98-4 Molecular Formula: C₉H₈O₃ Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004399 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

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Specifications

PubChem CID	637542
CAS	501-98-4
Molecular Weight (g/mol)	164.16
ChEBI	CHEBI:32374
MDL Number	MFCD00004399
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

4-Hydroxy-3-methoxycinnamic acid, Mixture of isomers, ≥99.0% (HPLC), MilliporeSigma™ Supelco™

4-Hydroxy-3-methoxycinnamic acid is a ubiquitous plant constituent primarily occurring in seeds and leaves. It arises from the metabolism of phenylalanine and tyrosine.

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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

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Specifications

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

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4-Acetamidocinnamic acid, predominantly trans, 98%

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

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Specifications

CAS	1918352
ChEBI	CHEBI:16388
MDL Number	MFCD00016846

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4-Isopropylcinnamic acid, predominantly trans, 98+%

CAS: 3368-21-6 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00016544 InChI Key: SJDOOXOUSJDYFE-VMPITWQZSA-N Synonym: 4-isopropylcinnamic acid,3-4-isopropylphenyl acrylic acid,p-isopropylcinnamic acid,2e-3-4-isopropylphenyl acrylic acid,cinnamic acid, p-isopropyl,2-propenoic acid, 3-4-1-methylethyl phenyl,2e-3-4-propan-2-yl phenyl prop-2-enoic acid,e-3-4-isopropylphenyl acrylic acid,e-3-4-isopropyl-phenyl-acrylic acid,2e-3-4-isopropylphenyl prop-2-enoic acid PubChem CID: 719753 IUPAC Name: (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid SMILES: CC(C)C1=CC=C(\C=C\C(O)=O)C=C1

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Specifications

PubChem CID	719753
CAS	3368-21-6
Molecular Weight (g/mol)	190.24
MDL Number	MFCD00016544
SMILES	CC(C)C1=CC=C(\C=C\C(O)=O)C=C1
Synonym	4-isopropylcinnamic acid,3-4-isopropylphenyl acrylic acid,p-isopropylcinnamic acid,2e-3-4-isopropylphenyl acrylic acid,cinnamic acid, p-isopropyl,2-propenoic acid, 3-4-1-methylethyl phenyl,2e-3-4-propan-2-yl phenyl prop-2-enoic acid,e-3-4-isopropylphenyl acrylic acid,e-3-4-isopropyl-phenyl-acrylic acid,2e-3-4-isopropylphenyl prop-2-enoic acid
IUPAC Name	(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
InChI Key	SJDOOXOUSJDYFE-VMPITWQZSA-N
Molecular Formula	C12H14O2

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.

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trans-4-Nitrocinnamic acid, 98+%

CAS: 882-06-4 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-]

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Specifications

PubChem CID	737157
CAS	882-06-4
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

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trans-4-Hydroxycinnamic acid, 98%

CAS: 501-98-4 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004399 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

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Specifications

PubChem CID	637542
CAS	501-98-4
Molecular Weight (g/mol)	164.16
ChEBI	CHEBI:32374
MDL Number	MFCD00004399
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

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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

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Specifications

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

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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

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Specifications

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

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3-(1-Naphthyl)acrylic acid, 98%

CAS: 13026-12-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014317,MFCD00014317 InChI Key: WPXMLUUYWNHQOR-CMDGGOBGSA-N Synonym: naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid PubChem CID: 12158295 SMILES: OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1

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Specifications

PubChem CID	12158295
CAS	13026-12-5
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00014317,MFCD00014317
SMILES	OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1
Synonym	naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid
InChI Key	WPXMLUUYWNHQOR-CMDGGOBGSA-N
Molecular Formula	C13H10O2

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4-Bromocinnamic acid, predominantly trans, 97+%

CAS: 1200-07-3 Molecular Formula: C9H7BrO2 Molecular Weight (g/mol): 227.06 MDL Number: MFCD00004394 InChI Key: CPDDDTNAMBSPRN-ZZXKWVIFSA-N Synonym: 4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006 PubChem CID: 737158 IUPAC Name: (E)-3-(4-bromophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Br)C=C1

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Specifications

PubChem CID	737158
CAS	1200-07-3
Molecular Weight (g/mol)	227.06
MDL Number	MFCD00004394
SMILES	OC(=O)\C=C\C1=CC=C(Br)C=C1
Synonym	4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006
IUPAC Name	(E)-3-(4-bromophenyl)prop-2-enoic acid
InChI Key	CPDDDTNAMBSPRN-ZZXKWVIFSA-N
Molecular Formula	C9H7BrO2

Cinnamic acids and derivatives

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