Molecule ID: mol32990
SMILES: CC1(C)C(C(=O)O)CCC1C(=O)O
InChI: InChI=1S/C9H14O4/c1-9(2)5(7(10)11)3-4-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | OCHEM | -1 » -2 |
| 4.88 | OCHEM | -1 » -2 |
| 5.19 | OCHEM | -1 » -2 |