Molecule ID: mol1871

SMILES: CC#CC(=O)O

InChI: InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.59 IUPAC digitized pKa 0 » -1
2.60 QSARToolbox 0 » -1
2.61 IUPAC digitized pKa 0 » -1
2.62 IUPAC digitized pKa 0 » -1
2.62 IUPAC digitized pKa 0 » -1
2.62 IUPAC digitized pKa 0 » -1
2.62 IUPAC digitized pKa 0 » -1
2.62 QSARToolbox 0 » -1
2.62 OCHEM 0 » -1
2.62 OCHEM 0 » -1
2.62 IUPAC digitized pKa 0 » -1
2.63 Datawarrior 0 » -1
2.63 OCHEM 0 » -1
2.63 IUPAC digitized pKa 0 » -1
2.65 IUPAC digitized pKa 0 » -1
2.65 OCHEM 0 » -1
2.65 Hunt 0 » -1
2.65 AttenGpKa training set 0 » -1
2.65 QSARToolbox 0 » -1
2.65 QSARToolbox 0 » -1
2.66 QSARToolbox 0 » -1
2.66 QSARToolbox 0 » -1
2.73 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization