Molecule ID: 53804754

IUPAC Name: 2-(2,4,5-trihydroxyphenyl)acetic acid

Description: The molecule is a benzenetriol that is phenylacetic acid carrying three hydroxy substituents at positions 2, 4 and 5. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It is a benzenetriol and a member of phenylacetic acids. It is a conjugate acid of a 2,4,5-trihydroxyphenylacetate.

SMILES: O=C(O)Cc1cc(O)c(O)cc1O

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

InChI: InChI=1S/C8H8O5/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3,9-11H,2H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 0.3