Molecule ID: 5460350

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

Description: The molecule is a dihydroxy monocarboxylic acid anion that is the conjugate base of (3,4-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group. It has a role as a human metabolite. It derives from a phenylacetate. It is a conjugate base of a (3,4-dihydroxyphenyl)acetic acid.

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

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

InChI: InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 1.1