Molecule ID: mol810
SMILES: COC(=O)[C@@H]([C@H](C(=O)O)C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C13H24O4/c1-12(2,3)8(10(14)15)9(11(16)17-7)13(4,5)6/h8-9H,1-7H3,(H,14,15)/t8-,9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | OCHEM | 0 » -1 |
| 5.57 | Hunt | 0 » -1 |