Molecule ID: mol755
SMILES: CC(C)(C(=O)O)C(=O)O
InChI: InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | IUPAC digitized pKa | 0 » -1 |
| 3.06 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | Hunt | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 4.49 | AttenGpKa training set | -1 » -2 |
| 5.43 | OCHEM | -1 » -2 |
| 5.44 | IUPAC digitized pKa | -1 » -2 |
| 5.73 | IUPAC digitized pKa | -1 » -2 |
| 5.80 | IUPAC digitized pKa | -1 » -2 |
| 5.94 | AttenGpKa training set | -1 » -2 |
| 6.06 | QSARToolbox | -1 » -2 |
| 6.06 | OCHEM | -1 » -2 |
| 6.06 | Hunt | -1 » -2 |
| 6.60 | QSARToolbox | -1 » -2 |