Molecule ID: 86289339

IUPAC Name: 4-[3-(2,4-dihydroxyphenyl)-3-oxopropanoyl]phenolate

Description: The molecule is a phenolate anion obtained by deprotonation of the 4'-hydroxy group of licodione. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a licodione.

SMILES: O=C(CC(=O)c1ccc(O)cc1O)c1ccc([O-])cc1

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

InChI: InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-7,16-17,19H,8H2/p-1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: 3.1