Molecule ID: 129626790

IUPAC Name: 2-(2,4,5-trihydroxyphenyl)acetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 2,4,5-trihydroxyphenylacetic acid, obtained by deprotonation of the carboxy group; major microspecies at pH 7.3. It derives from a phenylacetate. It is a conjugate base of a 2,4,5-trihydroxyphenylacetic acid.

SMILES: O=C(O)Cc1cc(O)c(O)cc1[O-]

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

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)/p-1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.0