HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Oxazolepropanenitrile, 4,5-dihydro-4-methyl-2-(4-methylphenyl)-5-oxo-
4-Oxazolepropanenitrile, 4,5-dihydro-4-methyl-2-(4-methylphenyl)-5-oxo-
Identifiers & Physical Properties
| CAS No. | 86435-56-5 |
|---|---|
| Molecular formula | C14H14N2O2 |
| Average molar mass | 242.27 g/mol |
| Monoisotopic mass | 242.10552769 g/mol |
| SMILES | Cc1ccc(C2=NC(C)(CCC#N)C(=O)O2)cc1 |
| InChIKey | ORMHNBGHJQAXNL-UHFFFAOYSA-N |
| PubChem CID | 13177922 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 62.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 413 |