Molecule ID: mol22246

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

InChI: InChI=1S/C6H10O3/c1-4(6(8)9)3-5(2)7/h4H,3H2,1-2H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization