Molecule ID: 139036268

IUPAC Name: 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenolate

Description: The molecule is a phenolate anion resulting from the deprotonation of the phenolic hydroxy group that is ortho to the acyl substituent; major species at pH 7.3. It is a conjugate base of a 2',3,4-trihydroxy-trans-chalcone.

SMILES: O=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1[O-]

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

InChI: InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/p-1/b7-5+

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 3.3