Molecule ID: mol9548

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

InChI: InChI=1S/C6H8O2/c1-3-5(7)4(2)6(3)8/h3,7H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization