Molecule ID: mol10005

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

InChI: InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.25 IUPAC digitized pKa 0 » -1
11.28 IUPAC digitized pKa 0 » -1
11.33 QSARToolbox 0 » -1
11.33 IUPAC digitized pKa 0 » -1
11.33 Datawarrior 0 » -1
11.33 OCHEM 0 » -1
11.34 IUPAC digitized pKa 0 » -1
11.34 OCHEM 0 » -1
11.34 OCHEM 0 » -1
11.41 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization