Molecule ID: mol21251

SMILES: CC1=C(O)CCC1=O

InChI: InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h7H,2-3H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.47 OCHEM 0 » -1
4.47 Baltruschat ChEMBL 0 » -1
4.59 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization