Molecule ID: mol23382

SMILES: CC(CC(=O)O)c1ccc(C=O)cc1

InChI: InChI=1S/C11H12O3/c1-8(6-11(13)14)10-4-2-9(7-12)3-5-10/h2-5,7-8H,6H2,1H3,(H,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.77 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization