Molecule ID: mol12488

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

InChI: InChI=1S/C5H7NO2/c1-4(3-6)2-5(7)8/h4H,2H2,1H3,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.95 Datawarrior 0 » -1
3.95 OCHEM 0 » -1
3.95 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization