Molecule ID: mol13852

SMILES: O=C(O)C(=O)/C=C/c1ccccc1

InChI: InChI=1S/C10H8O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization