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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-(2，5-Dichlorophenyl)propanoic acidCas Number: 68034-76-4 Compound CID: 17857699Formula: C9H8Cl2O2 Molecular Weight: 219.06IUPAC Name: 3-(2,5-dichlorophenyl)propanoic acidSMILES: C1=CC(=C(C=C1Cl)CCC(=O)O)ClInChIKey: NPCALKBOEAOXNJ-UHFFFAOYSA-NInChI: InChI=1S/C9H8Cl2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13) -
3-(2-Fluoro-4-methoxyphenyl)propanoic acidCas Number: 852181-15-8 Compound CID: 21580029IUPAC Name: 3-(2-fluoro-4-methoxyphenyl)propanoic acidSMILES: COC1=CC(=C(C=C1)CCC(=O)O)FInChIKey: KLEYADLSRYOXMC-UHFFFAOYSA-NInChI: InChI=1S/C10H11FO3/c1-14-8-4-2-7(9(11)6-8)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
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3-(2-Bromo-5-methoxyphenyl)propanoic acidCas Number: 66192-02-7 Compound CID: 10244281Formula: C10H11BrO3 Molecular Weight: 259.1IUPAC Name: 3-(2-bromo-5-methoxyphenyl)propanoic acidSMILES: COC1=CC(=C(C=C1)Br)CCC(=O)OInChIKey: PRQBOENPLKPYNI-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrO3/c1-14-8-3-4-9(11)7(6-8)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
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3-(2-Bromo-4-fluorophenyl)propionic acidCas Number: 174603-55-5 Compound CID: 10922852Formula: C9H8BrFO2 Molecular Weight: 247.06IUPAC Name: 3-(2-bromo-4-fluorophenyl)propanoic acidSMILES: C1=CC(=C(C=C1F)Br)CCC(=O)OInChIKey: VHFQIJJCQTZKFK-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
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3-(2-Acetoxyphenyl)propanoic acidCas Number: 17123-74-9 Compound CID: 10375760Formula: C11H12O4 Molecular Weight: 208.21IUPAC Name: 3-(2-acetyloxyphenyl)propanoic acidSMILES: CC(=O)OC1=CC=CC=C1CCC(=O)OInChIKey: MTAAFLMZZIYJHI-UHFFFAOYSA-NInChI: InChI=1S/C11H12O4/c1-8(12)15-10-5-3-2-4-9(10)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
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3-(2-(Methoxycarbonyl)phenyl)propanoic acidCas Number: 81329-74-0 Compound CID: 10398133Formula: C11H12O4 Molecular Weight: 208.21IUPAC Name: 3-(2-methoxycarbonylphenyl)propanoic acidSMILES: COC(=O)C1=CC=CC=C1CCC(=O)OInChIKey: RRQCXVACIPBWHE-UHFFFAOYSA-NInChI: InChI=1S/C11H12O4/c1-15-11(14)9-5-3-2-4-8(9)6-7-10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
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3-(2,3-Difluorophenyl)propanoic acidCas Number: 412961-26-3Formula: C9H8F2O2 Molecular Weight: 186.16IUPAC Name: 3-(2,3-difluorophenyl)propanoic acidSMILES: C1=CC(=C(C(=C1)F)F)CCC(=O)OInChIKey: YFYNHFVWTBQDGK-UHFFFAOYSA-NInChI: InChI=1S/C9H8F2O2/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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2，3-Dihydroxy-3-(4-hydroxyphenyl)propanoic acidCas Number: 100201-57-8 Compound CID: 53440648Formula: C9H10O5 Molecular Weight: 198.18IUPAC Name: 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoic acidSMILES: C1=CC(=CC=C1C(C(C(=O)O)O)O)OInChIKey: LERAXVLCHXAZGX-UHFFFAOYSA-NInChI: InChI=1S/C9H10O5/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,10-12H,(H,13,14)
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(S)-2-Benzyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acidCas Number: 706806-61-3 Compound CID: 6950294Formula: C17H23NO4 Molecular Weight: 305.37IUPAC Name: (2S)-2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acidSMILES: CC(C)(C)OC(=O)N1CCCC1(CC2=CC=CC=C2)C(=O)OInChIKey: JUUNPRGYFCIXSM-KRWDZBQOSA-NInChI: InChI=1S/C17H23NO4/c1-16(2,3)22-15(21)18-11-7-10-17(18,14(19)20)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,19,20)/t17-/m0/s1
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(R)-(+)-3-Hydroxy-3-phenylpropionic acidCas Number: 2768-42-5Formula: C9H10O3 Molecular Weight: 166.17IUPAC Name: (3R)-3-hydroxy-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)C(CC(=O)O)OInChIKey: AYOLELPCNDVZKZ-MRVPVSSYSA-NInChI: InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
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3-(4-Propoxyphenyl)propanoic acidFormula: C12H16O3 Molecular Weight: 208.25IUPAC Name: 3-(4-propoxyphenyl)propanoic acidSMILES: CCCOC1=CC=C(C=C1)CCC(=O)OInChIKey: SOFMLHAGBATXNZ-UHFFFAOYSA-NInChI: InChI=1S/C12H16O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14)
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3-(4-Fluorophenyl)pentanedioic acidCas Number: 3449-63-6 Compound CID: 76990Formula: C11H11FO4 Molecular Weight: 226.2IUPAC Name: 3-(4-fluorophenyl)pentanedioic acidSMILES: C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)FInChIKey: CNZZQTFKXGQNLI-UHFFFAOYSA-NInChI: InChI=1S/C11H11FO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
