Molecule ID: 86289381

IUPAC Name: 5-carboxy-7-hydroxy-3-oxocyclohepta-1,4,6-trien-1-olate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of stipitatic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a 5-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a stipitatic acid. It is a conjugate acid of a stipitatate(2-).

SMILES: O=C(O)c1cc([O-])c(O)cc(=O)c1

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

InChI: InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,10-11H,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: 0.2