Molecule ID: 21677748

IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)lactic acid; major species at pH 7.3. It is a conjugate base of a 3-(3,4-dihydroxyphenyl)lactic acid.

SMILES: O=C(O)C(O)Cc1ccc([O-])c(O)c1

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][O-1][C][Branch1][C][O][=C][Ring1][Branch2]

InChI: InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.4