Molecule ID: mol22242

SMILES: C/C(O)=C/C(=O)C(=O)O

InChI: InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2,6H,1H3,(H,8,9)/b3-2-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.85 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization