Molecule ID: 86289524

IUPAC Name: 9-methoxy-7-oxofuro[3,2-g]chromen-4-olate

Description: The molecule is a phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the 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 5-hydroxyxanthotoxin.

SMILES: COc1c2occc2c([O-])c2ccc(=O)oc12

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

InChI: InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 71.7 Ų
- LogP: 2.2