Molecule ID: 15564935

IUPAC Name: 2-oxochromen-4-olate

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

SMILES: O=c1cc([O-])c2ccccc2o1

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

InChI: InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H/p-1

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 1.9