Molecule ID: 6950168

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

Description: The molecule is a hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid. It has a role as a human metabolite and a mouse metabolite. It is a conjugate base of a homovanillic acid.

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

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

InChI: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 1.0