Molecule ID: mol11238
SMILES: O=C(O)C1CC2C=CC1(C(=O)O)CC2
InChI: InChI=1S/C10H12O4/c11-8(12)7-5-6-1-3-10(7,4-2-6)9(13)14/h1,3,6-7H,2,4-5H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | IUPAC digitized pKa | 0 » -1 |
| 5.93 | IUPAC digitized pKa | -1 » -2 |