Molecule ID: mol1851
SMILES: CC[C@@H](C)CC(=O)O
InChI: InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.77 | OCHEM | 0 » -1 |
| 4.77 | Hunt | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |
| 4.77 | OCHEM | 0 » -1 |