Molecule ID: 23615482

IUPAC Name: 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of vanillylmandelic acid. It has a role as a human metabolite. It derives from a mandelate. It is a conjugate base of a vanillylmandelic acid.

SMILES: COc1cc(C(O)C(=O)O)ccc1[O-]

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

InChI: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 0.5