Molecule ID: mol11681
SMILES: CC(C)(C)C1CCC(C(=O)O)C(C(=O)O)C1
InChI: InChI=1S/C12H20O4/c1-12(2,3)7-4-5-8(10(13)14)9(6-7)11(15)16/h7-9H,4-6H2,1-3H3,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | IUPAC digitized pKa | 0 » -1 |
| 6.08 | IUPAC digitized pKa | -1 » -2 |