Molecule ID: mol33011
SMILES: O=C(O)CC(CC(=O)O)OC(=O)O
InChI: InChI=1S/C6H8O7/c7-4(8)1-3(2-5(9)10)13-6(11)12/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | OCHEM | 0 » -1 |
| 2.90 | OCHEM | 0 » -1 |
| 4.60 | OCHEM | -1 » -2 |
| 5.10 | OCHEM | -2 » -3 |