Molecule ID: 439940

IUPAC Name: (2S)-2-hydroxy-2-(4-hydroxyphenyl)acetic acid

Description: The molecule is a 4-hydroxymandelic acid that has S-configuration. It is a (2S)-2-hydroxy monocarboxylic acid and a 4-hydroxymandelic acid. It is a conjugate acid of a (S)-4-hydroxymandelate. It is an enantiomer of a (R)-4-hydroxymandelic acid.

SMILES: O=C(O)[C@@H](O)c1ccc(O)cc1

SELFIES: [O][=C][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 0.3