Molecule ID: mol10906
SMILES: O=C(O)C12CCC(C(=O)O)(CC1)C2
InChI: InChI=1S/C9H12O4/c10-6(11)8-1-2-9(5-8,4-3-8)7(12)13/h1-5H2,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | IUPAC digitized pKa | -1 » -2 |
| 5.28 | IUPAC digitized pKa | 0 » -1 |