Molecule ID: mol31147

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

InChI: InChI=1S/C7H10O3/c1-4(8)7(5(2)9)6(3)10/h8H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization