Molecule ID: 20

IUPAC Name: 3-(2,3-dihydroxyphenyl)propanoic acid

Description: The molecule is a monocarboxylic acid that is propionic acid carrying a 2,3-dihydroxyphenyl substituent at C-3; a microbial metabolite of quinoline. It has a role as a metabolite. It is a monocarboxylic acid and a (dihydroxyphenyl)propanoic acid. It derives from a propionic acid. It is a conjugate acid of a 3-(2,3-dihydroxyphenyl)propanoate.

SMILES: O=C(O)CCc1cccc(O)c1O

SELFIES: [O][=C][Branch1][C][O][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O]

InChI: InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 1.0