HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(2,6-Dimethylpyrimidin-4-yl)ethanone
Ethanone,1-(2,6-dimethyl-4-pyrimidinyl)- · Ethanone, 1-(2,6-dimethyl-4-pyrimidinyl)- (9CI)
Identifiers & Physical Properties
| CAS No. | 73937-21-0 |
|---|---|
| Molecular formula | C8H10N2O |
| Average molar mass | 150.18 g/mol |
| Monoisotopic mass | 150.07931295 g/mol |
| SMILES | CC(=O)c1cc(C)nc(C)n1 |
| InChIKey | XCVVTFGVFNXFDD-UHFFFAOYSA-N |
| PubChem CID | 12562148 |
| DTXSID | DTXSID80502633 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 42.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 158 |
| Boiling point | 96-98 °C(Press: 20 Torr) |
| Density | 1.073±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 0.69±0.30(Predicted) |