Molecule ID: mol10475
SMILES: CC(C)CCC(O)(C(=O)O)C(=O)O
InChI: InChI=1S/C8H14O5/c1-5(2)3-4-8(13,6(9)10)7(11)12/h5,13H,3-4H2,1-2H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.72 | IUPAC digitized pKa | 0 » -1 |
| 4.78 | IUPAC digitized pKa | -1 » -2 |