Molecule ID: mol31889

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

InChI: InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h5-6,9H,4H2,1-3H3/b7-5-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization