Molecule ID: 5280539

IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxypropanedioic acid

Description: The molecule is the ester obtained from formal condensation of sinapic acid and hydroxymalonic acid. It is a dicarboxylic acid and a carboxylic ester. It derives from a trans-sinapic acid. It is a conjugate acid of a sinapoyltartronate(2-).

SMILES: COc1cc(/C=C/C(=O)OC(C(=O)O)C(=O)O)cc(OC)c1O

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

InChI: InChI=1S/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/b4-3+

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: 1.2