Molecule ID: mol31148

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

InChI: InChI=1S/C7H10O3/c1-5(8)3-7(10)4-6(2)9/h3,8H,4H2,1-2H3/b5-3-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.42 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization