Molecule ID: 91

IUPAC Name: 3-(3-hydroxyphenyl)propanoic acid

Description: The molecule is a monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3. It has a role as a human xenobiotic metabolite and an Escherichia coli metabolite. It derives from a propionic acid. It is a conjugate acid of a 3-(3-hydroxyphenyl)propanoate.

SMILES: O=C(O)CCc1cccc(O)c1

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

InChI: InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 1.4