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Phenylpropanoic acids
Description:
Compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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2-(2-methylphenyl)propanoic acidCas Number: 62835-95-4Formula: C10H12O2 Molecular Weight: 164.08SMILES: CC1=CC=CC=C1C(C)C(=O)OInChIKey: MQHULLOCAJMXJU-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2/c1-7-5-3-4-6-9(7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12) -
hydrochlorideCas Number: 102879-44-7Formula: C9H12ClNO2 Molecular Weight: 201.6501SMILES: C1=CC(=CC(=C1)N)CCC(=O)O.ClInChIKey: QBOBODDISCLHPG-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO2.ClH/c10-8-3-1-2-7(6-8)4-5-9(11)12;/h1-3,6H,4-5,10H2,(H,11,12);1H
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4-Mercaptohydrocinnamic AcidCas Number: 63545-55-1 Compound CID: 579784Formula: C9H10O2S Molecular Weight: 182.24IUPAC Name: 3-(4-sulfanylphenyl)propanoic acidSMILES: C1=CC(=CC=C1CCC(=O)O)SInChIKey: YQWPHBFLHAJVCG-UHFFFAOYSA-NInChI: InChI=1S/C9H10O2S/c10-9(11)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,12H,3,6H2,(H,10,11)
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4-Carboxy-α-methylbenzeneacetic AcidCas Number: 67381-50-4 Compound CID: 181888Formula: C10H10O4 Molecular Weight: 194.18IUPAC Name: 4-(1-carboxyethyl)benzoic acidSMILES: CC(C1=CC=C(C=C1)C(=O)O)C(=O)OInChIKey: ZHJJCJKDNFTHKD-UHFFFAOYSA-NInChI: InChI=1S/C10H10O4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)
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3-(3-Fluoro-2-methylphenyl)propanoic acidCas Number: 377083-80-2 Compound CID: 46737564Formula: C10H11FO2 Molecular Weight: 182.19IUPAC Name: 3-(3-fluoro-2-methylphenyl)propanoic acidSMILES: CC1=C(C=CC=C1F)CCC(=O)OInChIKey: ASZYDQYGUZNHFU-UHFFFAOYSA-NInChI: InChI=1S/C10H11FO2/c1-7-8(5-6-10(12)13)3-2-4-9(7)11/h2-4H,5-6H2,1H3,(H,12,13)
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2-(4-(Chloromethyl)phenyl)propanoic acidCas Number: 80530-55-8 Compound CID: 15113899Formula: C10H11ClO2 Molecular Weight: 198.64IUPAC Name: 2-[4-(chloromethyl)phenyl]propanoic acidSMILES: CC(C1=CC=C(C=C1)CCl)C(=O)OInChIKey: KIFZXXOBDKAFPG-UHFFFAOYSA-NInChI: InChI=1S/C10H11ClO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
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2-(4-(tert-butyl)phenyl)propanoic acidCas Number: 40150-91-2Formula: C13H18O2 Molecular Weight: 206.13SMILES: CC(C1=CC=C(C=C1)C(C)(C)C)C(=O)OInChIKey: YEUZPPMNBARTOY-UHFFFAOYSA-NInChI: InChI=1S/C13H18O2/c1-9(12(14)15)10-5-7-11(8-6-10)13(2,3)4/h5-9H,1-4H3,(H,14,15)
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2-(3-methoxyphenyl)propanoic acidIUPAC Name: 2-(3-methoxyphenyl)propanoic acidSMILES: CC(C1=CC(=CC=C1)OC)C(=O)OInChIKey: SJGKYVCZSNGHPC-UHFFFAOYSA-NInChI: InChI=1S/C10H12O3/c1-7(10(11)12)8-4-3-5-9(6-8)13-2/h3-7H,1-2H3,(H,11,12)
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2-(3-METHOXYPHENYL)SUCCINIC ACIDCas Number: 15378-02-6 Compound CID: 584147Formula: C11H12O5 Molecular Weight: 224.21IUPAC Name: 2-(3-methoxyphenyl)butanedioic acidSMILES: COC1=CC=CC(=C1)C(CC(=O)O)C(=O)OInChIKey: DFRXNLZHJFZSSL-UHFFFAOYSA-NInChI: InChI=1S/C11H12O5/c1-16-8-4-2-3-7(5-8)9(11(14)15)6-10(12)13/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
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N-(2-Benzo[1，3]dioxol-5-yl-ethyl)-2-(4-methyl-benzyl)-succinamic acidCas Number: 332849-40-8 Compound CID: 3133539Formula: C21H23NO5 Molecular Weight: 369.42IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-[(4-methylphenyl)methyl]-4-oxobutanoic acidSMILES: CC1=CC=C(C=C1)CC(CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)OInChIKey: WFDVRQOVLBEPIS-UHFFFAOYSA-NInChI: InChI=1S/C21H23NO5/c1-14-2-4-15(5-3-14)10-17(21(24)25)12-20(23)22-9-8-16-6-7-18-19(11-16)27-13-26-18/h2-7,11,17H,8-10,12-13H2,1H3,(H,22,23)(H,24,25)
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3-(4-Nitrophenyl)pentanedioic acidCas Number: 92289-14-0 Compound CID: 18404630Formula: C11H11NO6 Molecular Weight: 253.21IUPAC Name: 3-(4-nitrophenyl)pentanedioic acidSMILES: C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)[N+](=O)[O-]InChIKey: YNPLFNKGJKRZNX-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO6/c13-10(14)5-8(6-11(15)16)7-1-3-9(4-2-7)12(17)18/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
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3-(4-(Methylthio)phenyl)propanoic AcidCas Number: 138485-81-1 Compound CID: 3801098Formula: C10H12O2S Molecular Weight: 196.26IUPAC Name: 3-(4-methylsulfanylphenyl)propanoic acidSMILES: CSC1=CC=C(C=C1)CCC(=O)OInChIKey: ASTVFRXZLBGVRL-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
