Molecule ID: 6931571

IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)propanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of dihydroferulic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as an antioxidant, a human xenobiotic metabolite, a mouse metabolite and a plant metabolite. It is a conjugate base of a dihydroferulic acid.

SMILES: COc1cc(CCC(=O)O)ccc1[O-]

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

InChI: InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 1.3