Molecule ID: mol1826
SMILES: CC(C)(O)C(=O)O
InChI: InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.61 | QSARToolbox | 0 » -1 |
| 3.61 | QSARToolbox | 0 » -1 |
| 3.61 | IUPAC digitized pKa | 0 » -1 |
| 3.61 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.61 | OCHEM | 0 » -1 |
| 3.61 | OCHEM | 0 » -1 |
| 3.61 | OCHEM | 0 » -1 |
| 3.61 | OCHEM | 0 » -1 |
| 3.75 | IUPAC digitized pKa | 0 » -1 |
| 3.78 | IUPAC digitized pKa | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | OCHEM | 0 » -1 |
| 3.89 | AttenGpKa training set | 0 » -1 |
| 4.00 | IUPAC digitized pKa | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.04 | Datawarrior | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.04 | Hunt | 0 » -1 |
| 4.17 | QSARToolbox | 0 » -1 |