Molecule ID: mol22259

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

InChI: InChI=1S/C6H12O3/c1-5(2)3-9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization