Molecule ID: mol11672

SMILES: CCC(C(=O)O)(C(=O)O)c1ccc(C)cc1

InChI: InChI=1S/C12H14O4/c1-3-12(10(13)14,11(15)16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,13,14)(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.26 IUPAC digitized pKa -1 » -2
7.29 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization