Molecule ID: mol9953

SMILES: CC1=CC(=O)C=C(O)C1=O

InChI: InChI=1S/C7H6O3/c1-4-2-5(8)3-6(9)7(4)10/h2-3,9H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.04 IUPAC digitized pKa 0 » -1
4.86 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization