Molecule ID: mol34058

SMILES: O=C(O)CC(=O)Oc1ccccc1

InChI: InChI=1S/C9H8O4/c10-8(11)6-9(12)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization