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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-Cyano-3-phenylpropanoic acidCas Number: 14387-18-9 Compound CID: 11194625Formula: C10H9NO2 Molecular Weight: 175.19IUPAC Name: 3-cyano-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)C(CC(=O)O)C#NInChIKey: GMPNSKPTQXVWAF-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6H2,(H,12,13) -
3-(Formylamino)-3-Phenylpropanoic AcidCas Number: 126575-05-1 Compound CID: 14826603Formula: C10H11NO3 Molecular Weight: 193.2IUPAC Name: 3-formamido-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)C(CC(=O)O)NC=OInChIKey: FHCPDHZTKQFWKO-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO3/c12-7-11-9(6-10(13)14)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)
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3-(3-Iodophenyl)propanoic acidCas Number: 68034-75-3 Compound CID: 3870221Formula: C9H9O2I Molecular Weight: 276.07IUPAC Name: 3-(3-iodophenyl)propanoic acidSMILES: C1=CC(=CC(=C1)I)CCC(=O)OInChIKey: GGLXNAUNBQJVTF-UHFFFAOYSA-NInChI: InChI=1S/C9H9IO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
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3-(3-Bromo-4-methoxyphenyl)propanoic acidIUPAC Name: 3-(3-bromo-4-methoxyphenyl)propanoic acidSMILES: COC1=C(C=C(C=C1)CCC(=O)O)BrInChIKey: MLXVZRVWVCOUBQ-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
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3-(3-Bromo-2-fluorophenyl)propanoic acidFormula: C9H8BrFO2 Molecular Weight: 247.06IUPAC Name: 3-(3-bromo-2-fluorophenyl)propanoic acidSMILES: C1=CC(=C(C(=C1)Br)F)CCC(=O)OInChIKey: QUTHCORUZVGKKY-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrFO2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)
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3-(3-(tert-Butyl)-4-hydroxyphenyl)propanoic acidCas Number: 107551-67-7 Compound CID: 5463779Formula: C13H18O3 Molecular Weight: 222.28IUPAC Name: 3-(3-tert-butyl-4-hydroxyphenyl)propanoic acidSMILES: CC(C)(C)C1=C(C=CC(=C1)CCC(=O)O)OInChIKey: FZQRSWHPNZTNQQ-UHFFFAOYSA-NInChI: InChI=1S/C13H18O3/c1-13(2,3)10-8-9(4-6-11(10)14)5-7-12(15)16/h4,6,8,14H,5,7H2,1-3H3,(H,15,16)
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3-(3-(((tert-butoxycarbonyl)amino)methyl)phenyl)propanoic acidCas Number: 171663-00-6 Compound CID: 22282728Formula: C15H21NO4 Molecular Weight: 279.33IUPAC Name: 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoic acidSMILES: CC(C)(C)OC(=O)NCC1=CC=CC(=C1)CCC(=O)OInChIKey: XTKXCPYRQMMIHI-UHFFFAOYSA-NInChI: InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12-6-4-5-11(9-12)7-8-13(17)18/h4-6,9H,7-8,10H2,1-3H3,(H,16,19)(H,17,18)
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3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acidCas Number: 23028-17-3Formula: C9H10O5 Molecular Weight: 198.17IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acidSMILES: C1=CC(=C(C=C1CC(C(=O)O)O)O)OInChIKey: PAFLSMZLRSPALU-UHFFFAOYSA-NInChI: InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)
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3-(2，6-Difluorophenyl)propionic AcidCas Number: 167683-63-8 Compound CID: 18405375Formula: C9H8F2O2 Molecular Weight: 186.15IUPAC Name: 3-(2,6-difluorophenyl)propanoic acidSMILES: C1=CC(=C(C(=C1)F)CCC(=O)O)FInChIKey: IPPVKMOOEHDWBG-UHFFFAOYSA-NInChI: InChI=1S/C9H8F2O2/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-(2，5-Dimethylphenyl)propionic acidCas Number: 25173-75-5 Compound CID: 13308730Formula: C11H14O2 Molecular Weight: 178.24IUPAC Name: 3-(2,5-dimethylphenyl)propanoic acidSMILES: CC1=CC(=C(C=C1)C)CCC(=O)OInChIKey: YJUKGBIRIXQUJY-UHFFFAOYSA-NInChI: InChI=1S/C11H14O2/c1-8-3-4-9(2)10(7-8)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
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3-(2，4-Dimethylphenyl)propanoic acidCas Number: 1811-85-4 Compound CID: 3870217Formula: C11H14O2 Molecular Weight: 178.23IUPAC Name: 3-(2,4-dimethylphenyl)propanoic acidSMILES: CC1=CC(=C(C=C1)CCC(=O)O)CInChIKey: KNPUGELUZIPXCW-UHFFFAOYSA-NInChI: InChI=1S/C11H14O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
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3-(2，3-Dichlorophenyl)propanoic acidCas Number: 57915-79-4 Compound CID: 12595101Formula: C9H8Cl2O2 Molecular Weight: 219.07IUPAC Name: 3-(2,3-dichlorophenyl)propanoic acidSMILES: C1=CC(=C(C(=C1)Cl)Cl)CCC(=O)OInChIKey: QJOCBCMKVRKWLM-UHFFFAOYSA-NInChI: InChI=1S/C9H8Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)
