Molecule ID: mol35000

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

InChI: InChI=1S/C9H14O6/c1-9(2,8(14)15)5(3-6(10)11)4-7(12)13/h5H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.13 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization