Molecule ID: mol30607

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

InChI: InChI=1S/C10H12O3/c1-5(2)7-4-8(11)6(3)9(12)10(7)13/h4-5,12H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization