Molecule ID: 6950105

IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)propanoic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 3-(3,4-dihydroxyphenyl)propanoic acid.

SMILES: O=C(O)CCc1ccc([O-])c(O)c1

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

InChI: InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 0.1