Molecule ID: mol11677

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

InChI: InChI=1S/C12H16O4/c1-3-5-8-7-10(14)11(12(15)16-8)9(13)6-4-2/h7,15H,3-6H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization