Molecule ID: 102959

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

Description: The molecule is a dihydroxy monocarboxylic acid that is 3-hydroxypropanoic acid substituted by a 3-hydroxyphenyl group at position 3. It has a role as a human urinary metabolite. It is a member of phenols and a dihydroxy monocarboxylic acid. It derives from a 3-hydroxypropionic acid.

SMILES: O=C(O)CC(O)c1cccc(O)c1

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

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

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: -0.4