Molecule ID: mol9974

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

InChI: InChI=1S/C7H8O4/c1-11-7(10)5-3-2-4(5)6(8)9/h2-3H2,1H3,(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.19 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization