Molecule ID: mol1796
SMILES: COCC(=O)O
InChI: InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.31 | IUPAC digitized pKa | 0 » -1 |
| 3.36 | IUPAC digitized pKa | 0 » -1 |
| 3.40 | IUPAC digitized pKa | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.53 | Datawarrior | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | AttenGpKa training set | 0 » -1 |
| 3.55 | IUPAC digitized pKa | 0 » -1 |
| 3.56 | IUPAC digitized pKa | 0 » -1 |
| 3.57 | IUPAC digitized pKa | 0 » -1 |
| 3.57 | IUPAC digitized pKa | 0 » -1 |
| 3.57 | OCHEM | 0 » -1 |
| 3.57 | OCHEM | 0 » -1 |
| 3.57 | Hunt | 0 » -1 |
| 3.57 | OCHEM | 0 » -1 |
| 3.58 | IUPAC digitized pKa | 0 » -1 |
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 3.61 | IUPAC digitized pKa | 0 » -1 |
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.65 | IUPAC digitized pKa | 0 » -1 |