Molecule ID: mol10460
SMILES: O=C(O)CCC(CCC(=O)O)C(=O)O
InChI: InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.99 | IUPAC digitized pKa | 0 » -1 |
| 4.88 | IUPAC digitized pKa | -1 » -2 |
| 5.63 | IUPAC digitized pKa | -2 » -3 |