Molecule ID: mol33794

SMILES: CC1=C(CCC(=O)O)C(=O)NC1=O

InChI: InChI=1S/C8H9NO4/c1-4-5(2-3-6(10)11)8(13)9-7(4)12/h2-3H2,1H3,(H,10,11)(H,9,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization