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Phenylpropanoic acids
Description:
Compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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3-(3-Fluoro-4-methylphenyl)propanoic acidCas Number: 881189-62-4 Compound CID: 46737500Formula: C10H11FO2 Molecular Weight: 182.19IUPAC Name: 3-(3-fluoro-4-methylphenyl)propanoic acidSMILES: CC1=C(C=C(C=C1)CCC(=O)O)FInChIKey: DYVQAEHNFXNAEH-UHFFFAOYSA-NInChI: InChI=1S/C10H11FO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13) -
3-(2，4-Dinitrophenyl)propanoic acidCas Number: 90417-95-1 Compound CID: 2750513Formula: C9H8N2O6 Molecular Weight: 240.17IUPAC Name: 3-(2,4-dinitrophenyl)propanoic acidSMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCC(=O)OInChIKey: NJGXPGVYYHJEBT-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O6/c12-9(13)4-2-6-1-3-7(10(14)15)5-8(6)11(16)17/h1,3,5H,2,4H2,(H,12,13)
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3-(2，5-Difluorophenyl)propanoic acidCas Number: 130408-15-0 Compound CID: 581523Formula: C9H8F2O2 Molecular Weight: 186.16IUPAC Name: 3-(2,5-difluorophenyl)propanoic acidSMILES: C1=CC(=C(C=C1F)CCC(=O)O)FInChIKey: DURXQDAFKSWAES-UHFFFAOYSA-NInChI: InChI=1S/C9H8F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13)
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3-(2，6-Dichlorophenyl)propanoic acidCas Number: 51656-68-9 Compound CID: 2758192Formula: C9H8Cl2O2 Molecular Weight: 219.07IUPAC Name: 3-(2,6-dichlorophenyl)propanoic acidSMILES: C1=CC(=C(C(=C1)Cl)CCC(=O)O)ClInChIKey: IDEOVPXKPDUXTP-UHFFFAOYSA-NInChI: InChI=1S/C9H8Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-3H,4-5H2,(H,12,13)
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3-(2，3，4-Trimethoxyphenyl)propanoic acidFormula: C12H16O5 Molecular Weight: 240.25IUPAC Name: 3-(2,3,4-trimethoxyphenyl)propanoic acidSMILES: COC1=C(C(=C(C=C1)CCC(=O)O)OC)OCInChIKey: QOPNYPCVRBRZOP-UHFFFAOYSA-NInChI: InChI=1S/C12H16O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4,6H,5,7H2,1-3H3,(H,13,14)
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3-(2-Carboxyethyl)Benzoic AcidCas Number: 161265-32-3 Compound CID: 11344556IUPAC Name: 3-(2-carboxyethyl)benzoic acidSMILES: C1=CC(=CC(=C1)C(=O)O)CCC(=O)OInChIKey: XUOCLOJWCPUKCS-UHFFFAOYSA-NInChI: InChI=1S/C10H10O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)(H,13,14)
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2-[(4-methylphenyl)methyl]butanedioic acidCas Number: 6315-21-5 Compound CID: 95557Formula: C12H14O4 Molecular Weight: 222.24IUPAC Name: 2-[(4-methylphenyl)methyl]butanedioic acidSMILES: CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)OInChIKey: CBRJMHNWUUTCDW-UHFFFAOYSA-NInChI: InChI=1S/C12H14O4/c1-8-2-4-9(5-3-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)
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2-Cyano-3-phenylpropionic AcidCas Number: 5331-42-0 Compound CID: 220055Formula: C10H9NO2 Molecular Weight: 175.18IUPAC Name: 2-cyano-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)CC(C#N)C(=O)OInChIKey: VKFDROJPHCZDTC-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H,12,13)
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2-(4-Aminophenyl)propanoicacidCas Number: 59430-62-5 Compound CID: 43026Formula: C9H11NO2 Molecular Weight: 165.19IUPAC Name: 2-(4-aminophenyl)propanoic acidSMILES: CC(C1=CC=C(C=C1)N)C(=O)OInChIKey: WOMVICAMAQURRN-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H,11,12)
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2-(4-Methoxyphenyl)propanoic acidCas Number: 942-54-1 EC Number: 829-373-5Formula: C10H12O3 Molecular Weight: 180.20IUPAC Name: 2-(4-methoxyphenyl)propanoic acidSMILES: CC(C1=CC=C(C=C1)OC)C(=O)OInChIKey: KBDLTYNZHQRMQC-UHFFFAOYSA-NInChI: InChI=1S/C10H12O3/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3,(H,11,12)
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2-(4-Fluorophenyl)propanoic AcidCas Number: 75908-73-5 Compound CID: 2723915Formula: C9H9FO2 Molecular Weight: 168.17IUPAC Name: 2-(4-fluorophenyl)propanoic acidSMILES: CC(C1=CC=C(C=C1)F)C(=O)OInChIKey: IXSCGBODJGIJNN-UHFFFAOYSA-NInChI: InChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
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2-(4-Chlorophenyl)succinic acidCas Number: 58755-91-2 Compound CID: 580487Formula: C10H9ClO4 Molecular Weight: 228.63IUPAC Name: 2-(4-chlorophenyl)butanedioic acidSMILES: C1=CC(=CC=C1C(CC(=O)O)C(=O)O)ClInChIKey: AGFXJIDIVHRKCA-UHFFFAOYSA-NInChI: InChI=1S/C10H9ClO4/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
