Molecule ID: mol14524
SMILES: Cc1cc(C)c2c(O)c(CC(=O)O)oc2c1
InChI: InChI=1S/C12H12O4/c1-6-3-7(2)11-8(4-6)16-9(12(11)15)5-10(13)14/h3-4,15H,5H2,1-2H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | Datawarrior | 0 » -1 |
| 4.75 | OCHEM | 0 » -1 |