Molecule ID: 86289344

IUPAC Name: 7-oxofuro[3,2-g]chromen-4-olate

Description: The molecule is a phenolate anion that is the conjugate base of bergaptol, obtained by deprotonation of the phenolic hydroxy substituent. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a bergaptol.

SMILES: O=c1ccc2c([O-])c3ccoc3cc2o1

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

InChI: InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H/p-1

Molecular Properties:
- Polar Surface Area: 62.5 Ų
- LogP: 2.6