Molecule ID: mol10898
SMILES: CCOC(=O)c1ccc(O)c(O)c1
InChI: InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.08 | IUPAC digitized pKa | 0 » -1 |
| 8.08 | OCHEM | 0 » -1 |
| 8.08 | AttenGpKa training set | 0 » -1 |
| 11.65 | IUPAC digitized pKa | -1 » -2 |
| 11.65 | OCHEM | -1 » -2 |
| 11.65 | AttenGpKa training set | -1 » -2 |