Molecule ID: mol1801
SMILES: O=C(O)[C@H](CO)c1ccccc1
InChI: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | Hunt | 0 » -1 |
| 4.12 | OCHEM | 0 » -1 |
| 4.12 | OCHEM | 0 » -1 |