Molecule ID: mol12939

SMILES: O=C(O)/C=C/c1ccco1

InChI: InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.29 QSARToolbox 0 » -1
4.29 Datawarrior 0 » -1
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Charge States and Microspecies Visualization