Molecule ID: mol9328
SMILES: CCC(C(=O)O)C(=O)O
InChI: InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | OCHEM | 0 » -1 |
| 2.90 | OCHEM | 0 » -1 |
| 2.91 | AttenGpKa training set | 0 » -1 |
| 2.96 | IUPAC digitized pKa | 0 » -1 |
| 2.96 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | OCHEM | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |
| 2.99 | IUPAC digitized pKa | 0 » -1 |
| 2.99 | QSARToolbox | 0 » -1 |
| 2.99 | QSARToolbox | 0 » -1 |
| 2.99 | QSARToolbox | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |
| 3.46 | IUPAC digitized pKa | 0 » -1 |
| 5.50 | OCHEM | -1 » -2 |
| 5.62 | AttenGpKa training set | -1 » -2 |
| 5.81 | IUPAC digitized pKa | -1 » -2 |
| 5.83 | QSARToolbox | -1 » -2 |
| 5.83 | QSARToolbox | -1 » -2 |
| 5.83 | IUPAC digitized pKa | -1 » -2 |
| 6.28 | IUPAC digitized pKa | -1 » -2 |