Molecule ID: mol10446

SMILES: COC(=O)C1=C(C(=O)O)CCC1

InChI: InChI=1S/C8H10O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h2-4H2,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization