Molecule ID: mol30565

SMILES: CC1=C(C)C(=O)C(O)=C(C)C1=O

InChI: InChI=1S/C9H10O3/c1-4-5(2)8(11)9(12)6(3)7(4)10/h12H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization