Cinnamic acids and derivatives

Description:

Organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Cinnamic acids and derivatives

3-(4-Fluorophenyl)-2-methylacrylic acid
- ≥95%
Cas Number: 22138-72-3 Compound CID: 5388694

Formula: C₁₀H₉FO₂ Molecular Weight: 180.18

IUPAC Name: (E)-3-(4-fluorophenyl)-2-methylprop-2-enoic acid

SMILES: CC(=CC1=CC=C(C=C1)F)C(=O)O

InChIKey: AQQMERSMRLTKCK-VOTSOKGWSA-N

InChI: InChI=1S/C10H9FO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+
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N-Phenethylcinnamamide
- ≥98%
Cas Number: 103188-43-8 Compound CID: 795855

IUPAC Name: (E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide

SMILES: C1=CC=C(C=C1)CCNC(=O)C=CC2=CC=CC=C2

InChIKey: BOSUEWCVNFFBGV-VAWYXSNFSA-N

InChI: InChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19)/b12-11+
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N-(4-Methylphenyl)-3-Phenylacrylamide
- ≥95%
Cas Number: 134430-88-9 Compound CID: 787183

IUPAC Name: (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide

SMILES: CC1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=C2

InChIKey: BZTAHBIRTCNRAW-FMIVXFBMSA-N

InChI: InChI=1S/C16H15NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+
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N-(2-Chlorophenyl)cinnamamide
- ≥97%
Cas Number: 73108-79-9 Compound CID: 765318

Formula: C₁₅H₁₂ClNO Molecular Weight: 257.709

IUPAC Name: (E)-N-(2-chlorophenyl)-3-phenylprop-2-enamide

SMILES: C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2Cl

InChIKey: FKLXMLNUDVRAJG-ZHACJKMWSA-N

InChI: InChI=1S/C15H12ClNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+
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Methyl (E)-3-(3-(trifluoromethyl)phenyl)acrylate
- ≥95%
Cas Number: 104201-66-3

Formula: C₁₁H₉F₃O₂ Molecular Weight: 230.18

IUPAC Name: methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

SMILES: COC(=O)C=CC1=CC(=CC=C1)C(F)(F)F

InChIKey: ZQAIZQSBGPNEEN-AATRIKPKSA-N

InChI: InChI=1S/C11H9F3O2/c1-16-10(15)6-5-8-3-2-4-9(7-8)11(12,13)14/h2-7H,1H3/b6-5+
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Methyl (E)-3-(3-aminophenyl)acrylate
- ≥97%
Cas Number: 163487-10-3 Compound CID: 12394366

Formula: C₁₀H₁₁NO₂ Molecular Weight: 177.2

IUPAC Name: methyl (E)-3-(3-aminophenyl)prop-2-enoate

SMILES: COC(=O)C=CC1=CC(=CC=C1)N

InChIKey: VCSGRXIKJCLEAN-AATRIKPKSA-N

InChI: InChI=1S/C10H11NO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,11H2,1H3/b6-5+
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Methyl (E)-3-(4-fluorophenyl)acrylate
- ≥95%
Cas Number: 100891-10-9

Formula: C₁₀H₉FO₂ Molecular Weight: 180.17

IUPAC Name: methyl (E)-3-(4-fluorophenyl)prop-2-enoate

SMILES: COC(=O)C=CC1=CC=C(C=C1)F

InChIKey: HSNCAEKOZRUMTB-QPJJXVBHSA-N

InChI: InChI=1S/C10H9FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
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4-chloro-α-Cyanocinnamic Acid (Cl-CCA)
- ≥98%
Cas Number: 20374-46-3 Compound CID: 2363776

Formula: C₁₀H₆ClNO₂ Molecular Weight: 207.62

IUPAC Name: (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoic acid

SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)Cl

InChIKey: MXCRRKYUQNHWLJ-VMPITWQZSA-N

InChI: InChI=1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
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4-Fluoro-2-(Trifluoromethyl)CinnamicAcid
- ≥97%
Cas Number: 243977-21-1 Compound CID: 5702896

Formula: C₁₀H₆F₄O₂ Molecular Weight: 234.15

IUPAC Name: (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acid

SMILES: C1=CC(=C(C=C1F)C(F)(F)F)C=CC(=O)O

InChIKey: OREHSCSLACWBTF-DUXPYHPUSA-N

InChI: InChI=1S/C10H6F4O2/c11-7-3-1-6(2-4-9(15)16)8(5-7)10(12,13)14/h1-5H,(H,15,16)/b4-2+
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4-(2，6-Dichlorophenyl)But-3-En-2-One
- ≥98%
Cas Number: 81559-89-9 Compound CID: 5708785

IUPAC Name: (E)-4-(2,6-dichlorophenyl)but-3-en-2-one

SMILES: CC(=O)C=CC1=C(C=CC=C1Cl)Cl

InChIKey: QUUBBGLIJLKARO-AATRIKPKSA-N

InChI: InChI=1S/C10H8Cl2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+
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4-(2-Carboxyvinyl)benzeneboronic acid
- ≥97%
Cas Number: 151169-68-5

Formula: C₉H₉BO₄ Molecular Weight: 191.98

IUPAC Name: (E)-3-(4-boronophenyl)prop-2-enoic acid

SMILES: B(C1=CC=C(C=C1)C=CC(=O)O)(O)O

InChIKey: IEMLKNHGGSYOMP-ZZXKWVIFSA-N

InChI: InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
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3-(4-Ethylphenyl)acrylic acid
- ≥95%
Cas Number: 28784-98-7 Compound CID: 1482753

Formula: C₁₁H₁₂O₂ Molecular Weight: 176.22

IUPAC Name: (E)-3-(4-ethylphenyl)prop-2-enoic acid

SMILES: CCC1=CC=C(C=C1)C=CC(=O)O

InChIKey: GOIIVCHICYNWSG-BQYQJAHWSA-N

InChI: InChI=1S/C11H12O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-7+
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