Molecule ID: mol14097

SMILES: O=C(O)C1=C/C=C/C=C\C=C1

InChI: InChI=1S/C9H8O2/c10-9(11)8-6-4-2-1-3-5-7-8/h1-7H,(H,10,11)/b2-1-,3-1?,4-2?,5-3+,6-4?,7-5?,8-6?,8-7?

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization