Molecule ID: mol10474

SMILES: CC(C)(OC(C)(C)C(=O)O)C(=O)O

InChI: InChI=1S/C8H14O5/c1-7(2,5(9)10)13-8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.45 IUPAC digitized pKa 0 » -1
5.32 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization