HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(3-(Cyclooctylmethoxy)phenyl)-3-hydroxypropanenitrile
Identifiers & Physical Properties
| Molecular formula | C18H25NO2 |
|---|---|
| Average molar mass | 287.4 g/mol |
| Monoisotopic mass | 287.18852904 g/mol |
| SMILES | N#CCC(O)c1cccc(OCC2CCCCCCC2)c1 |
| InChIKey | YYTZNRAZCDNEQR-UHFFFAOYSA-N |
| PubChem CID | 67316632 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 53.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 327 |