Molecule ID: mol35845

SMILES: CCOC(=O)C(C(=O)O)=C(C)C

InChI: InChI=1S/C8H12O4/c1-4-12-8(11)6(5(2)3)7(9)10/h4H2,1-3H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization