Molecule ID: mol9533

SMILES: O=C1C(O)=C(O)C(=O)C(O)=C1O

InChI: InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.80 IUPAC digitized pKa -1 » -2
6.80 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization