Molecule ID: mol10842

SMILES: O=C(O)/C=C\c1ccccc1O

InChI: InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.66 QSARToolbox -1 » -2
10.66 IUPAC digitized pKa -1 » -2
10.66 Datawarrior -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization