Molecule ID: mol34936

SMILES: CC1=C(C)/C(=C(\C)C(=O)O)CC1=O

InChI: InChI=1S/C10H12O3/c1-5-6(2)9(11)4-8(5)7(3)10(12)13/h4H2,1-3H3,(H,12,13)/b8-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization