HuagongsheHuagongshe Chemistry Print Report · For research reference only
1h-Pyrimido[1,6-c][1,3]oxazepine
1H-Pyrimido[1,6-c][1,3]oxazepine(9CI)
![1h-Pyrimido[1,6-c][1,3]oxazepine molecular structure](/img/chemical/45088198.png)
Identifiers & Physical Properties
| CAS No. | 183156-04-9 |
|---|---|
| Molecular formula | C8H8N2O |
| Average molar mass | 148.16 g/mol |
| Monoisotopic mass | 148.06366288 g/mol |
| SMILES | C1=COCN2C=NC=CC2=C1 |
| InChIKey | PCFIBNFSAQDLNH-UHFFFAOYSA-N |
| PubChem CID | 45088198 |
| DTXSID | DTXSID90666270 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 24.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 263 |