Molecule ID: mol34085

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

InChI: InChI=1S/C7H12O4/c1-3-7(2,6(10)11)4-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.09 QSARToolbox 0 » -1
6.51 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization