Molecule ID: 547

IUPAC Name: 2-(3,4-dihydroxyphenyl)acetic acid

Description: The molecule is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has a role as a human metabolite. It is a dihydroxyphenylacetic acid and a member of catechols. It derives from a phenylacetic acid. It is a conjugate acid of a (3,4-dihydroxyphenyl)acetate.

SMILES: O=C(O)Cc1ccc(O)c(O)c1

SELFIES: [O][=C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][O][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)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 0.5