Molecule ID: mol11239

SMILES: CCC(=O)c1c(O)oc(CC)cc1=O

InChI: InChI=1S/C10H12O4/c1-3-6-5-8(12)9(7(11)4-2)10(13)14-6/h5,13H,3-4H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization