Molecule ID: mol30532

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

InChI: InChI=1S/C8H8O3/c1-4-3-6(9)8(11)5(2)7(4)10/h3,11H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization