Molecule ID: mol11680
SMILES: O=C(O)C1(OC2(C(=O)O)CCCC2)CCCC1
InChI: InChI=1S/C12H18O5/c13-9(14)11(5-1-2-6-11)17-12(10(15)16)7-3-4-8-12/h1-8H2,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | -1 » -2 |
| 6.00 | IUPAC digitized pKa | 0 » -1 |