Molecule ID: 69501207

IUPAC Name: 2-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]butanedioic acid

Description: The molecule is a cinnamate ester obtained by formal condensation of the carboxy group of ferulic acid with one of the hydroxy groups of tartaric acid. It is an aromatic ether, a cinnamate ester, a dicarboxylic acid, a member of phenols and a tetraric acid derivative. It derives from a 2,3-dihydroxybutanedioic acid.

SMILES: COc1cc(C=CC(=O)OC(C(=O)O)C(O)C(=O)O)ccc1O

SELFIES: [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21)

Molecular Properties:
- Polar Surface Area: 151.0 Ų
- LogP: 0.4