Molecule ID: 86289331

IUPAC Name: 3-(4-methoxyphenyl)-4-oxochromen-7-olate

Description: The molecule is a flavonoid oxoanion that is the conjugate base of formononetin, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a formononetin.

SMILES: COc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][O][C][=C][C][Branch1][C][O-1][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C]

InChI: InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 58.6 Ų
- LogP: 3.4