Molecule ID: mol11237

SMILES: COC(=O)C1=C(C(=O)O)C2CCC1C2

InChI: InChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h5-6H,2-4H2,1H3,(H,11,12)

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