Molecule ID: mol1866

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

InChI: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.11 IUPAC digitized pKa 0 » -1
2.22 IUPAC digitized pKa 0 » -1
2.39 IUPAC digitized pKa 0 » -1
2.39 IUPAC digitized pKa 0 » -1
2.39 Datawarrior 0 » -1
2.39 OCHEM 0 » -1
2.39 QSARToolbox 0 » -1
2.39 QSARToolbox 0 » -1
2.45 AttenGpKa training set 0 » -1
2.45 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.45 QSARToolbox 0 » -1
2.45 QSARToolbox 0 » -1
2.49 OCHEM 0 » -1
2.49 OCHEM 0 » -1
2.49 Hunt 0 » -1
2.49 OCHEM 0 » -1
2.50 QSARToolbox 0 » -1
2.60 IUPAC digitized pKa 0 » -1
2.60 OCHEM 0 » -1
2.75 QSARToolbox 0 » -1
3.80 QSARToolbox 0 » -1
17.00 AttenGpKa training set -1 » -2
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Charge States and Microspecies Visualization