Molecule ID: mol34439

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

InChI: InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.56 QSARToolbox 0 » -1
9.81 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization