Molecule ID: mol1780

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

InChI: InChI=1S/C7H12O2/c1-3-5-6(4-2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization