Molecule ID: 25201808

IUPAC Name: 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-5-olate

Description: The molecule is a phenolate anion that results from the removal of a proton from the hydroxy group at position 7 of pratensein. It is a conjugate base of a pratensein.

SMILES: COc1ccc(-c2coc3cc([O-])cc(O)c3c2=O)cc1O

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

InChI: InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 2.7