HuagongsheHuagongshe Chemistry Print Report · For research reference only
Agn-PC-0LP9SB
Identifiers & Physical Properties
| CAS No. | 7241-50-1 |
|---|---|
| Molecular formula | C12H17NO |
| Average molar mass | 191.27 g/mol |
| Monoisotopic mass | 191.13101417 g/mol |
| SMILES | CC12C=CC3C(=NO)CCCCC31C2 |
| InChIKey | SLVJIQALJPDSHE-UHFFFAOYSA-N |
| PubChem CID | 5259305 |
| DTXSID | DTXSID20413875 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 32.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 333 |