Molecule ID: mol1887
SMILES: O=C(O)CC(=O)O
InChI: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | IUPAC digitized pKa | 0 » -1 |
| 2.61 | IUPAC digitized pKa | 0 » -1 |
| 2.80 | IUPAC digitized pKa | 0 » -1 |
| 2.83 | QSARToolbox | 0 » -1 |
| 2.83 | QSARToolbox | 0 » -1 |
| 2.83 | OCHEM | 0 » -1 |
| 2.83 | OCHEM | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.84 | QSARToolbox | 0 » -1 |
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 2.85 | QSARToolbox | 0 » -1 |
| 2.85 | QSARToolbox | 0 » -1 |
| 2.85 | QSARToolbox | 0 » -1 |
| 2.85 | QSARToolbox | 0 » -1 |
| 2.85 | QSARToolbox | 0 » -1 |
| 2.85 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 2.85 | Hunt | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 2.85 | OCHEM | 0 » -1 |
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 2.86 | IUPAC digitized pKa | 0 » -1 |
| 2.86 | IUPAC digitized pKa | 0 » -1 |
| 2.86 | IUPAC digitized pKa | 0 » -1 |
| 2.86 | IUPAC digitized pKa | 0 » -1 |
| 2.86 | QSARToolbox | 0 » -1 |
| 2.86 | IUPAC digitized pKa | 0 » -1 |
| 2.86 | IUPAC digitized pKa | 0 » -1 |
| 2.87 | IUPAC digitized pKa | 0 » -1 |
| 2.87 | IUPAC digitized pKa | 0 » -1 |
| 2.87 | IUPAC digitized pKa | 0 » -1 |
| 2.87 | IUPAC digitized pKa | 0 » -1 |
| 2.88 | IUPAC digitized pKa | 0 » -1 |
| 2.88 | IUPAC digitized pKa | 0 » -1 |
| 2.88 | IUPAC digitized pKa | 0 » -1 |
| 2.88 | IUPAC digitized pKa | 0 » -1 |
| 2.90 | AttenGpKa training set | 0 » -1 |
| 2.96 | QSARToolbox | 0 » -1 |
| 3.09 | QSARToolbox | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |
| 3.30 | IUPAC digitized pKa | 0 » -1 |
| 3.36 | QSARToolbox | 0 » -1 |
| 3.37 | IUPAC digitized pKa | 0 » -1 |
| 3.51 | QSARToolbox | -1 » -2 |
| 5.20 | QSARToolbox | -1 » -2 |
| 5.27 | IUPAC digitized pKa | -1 » -2 |
| 5.40 | OCHEM | -1 » -2 |
| 5.48 | QSARToolbox | -1 » -2 |
| 5.53 | AttenGpKa training set | -1 » -2 |
| 5.60 | IUPAC digitized pKa | -1 » -2 |
| 5.66 | OCHEM | -1 » -2 |
| 5.66 | OCHEM | -1 » -2 |
| 5.66 | IUPAC digitized pKa | -1 » -2 |
| 5.66 | IUPAC digitized pKa | -1 » -2 |
| 5.67 | IUPAC digitized pKa | -1 » -2 |
| 5.67 | IUPAC digitized pKa | -1 » -2 |
| 5.67 | QSARToolbox | -1 » -2 |
| 5.67 | IUPAC digitized pKa | -1 » -2 |
| 5.67 | IUPAC digitized pKa | -1 » -2 |
| 5.68 | QSARToolbox | -1 » -2 |
| 5.68 | QSARToolbox | -1 » -2 |
| 5.68 | IUPAC digitized pKa | -1 » -2 |
| 5.68 | IUPAC digitized pKa | -1 » -2 |
| 5.69 | IUPAC digitized pKa | -1 » -2 |
| 5.69 | QSARToolbox | -1 » -2 |
| 5.70 | IUPAC digitized pKa | -1 » -2 |
| 5.70 | IUPAC digitized pKa | -1 » -2 |
| 5.70 | QSARToolbox | -1 » -2 |
| 5.70 | QSARToolbox | -1 » -2 |
| 5.70 | QSARToolbox | -1 » -2 |
| 5.70 | IUPAC digitized pKa | -1 » -2 |
| 5.70 | IUPAC digitized pKa | -1 » -2 |
| 5.71 | IUPAC digitized pKa | -1 » -2 |
| 5.71 | QSARToolbox | -1 » -2 |
| 5.71 | IUPAC digitized pKa | -1 » -2 |
| 5.72 | QSARToolbox | -1 » -2 |
| 5.73 | IUPAC digitized pKa | -1 » -2 |
| 5.73 | IUPAC digitized pKa | -1 » -2 |
| 5.75 | IUPAC digitized pKa | -1 » -2 |
| 5.75 | IUPAC digitized pKa | -1 » -2 |
| 5.77 | IUPAC digitized pKa | -1 » -2 |
| 5.78 | IUPAC digitized pKa | -1 » -2 |
| 6.12 | IUPAC digitized pKa | -1 » -2 |