Molecule ID: mol22292

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

InChI: InChI=1S/C7H12O3/c1-5(8)4-7(2,3)6(9)10/h4H2,1-3H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization