HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Cycloheptylpropan-2-one
NSC18984 · cycloheptyl-acetone · 1-cycloheptylpropan-2-one · 2-Propanone, 1-cycloheptyl-
Identifiers & Physical Properties
| CAS No. | 5452-74-4 |
|---|---|
| Molecular formula | C10H18O |
| Average molar mass | 154.25 g/mol |
| Monoisotopic mass | 154.1357652 g/mol |
| SMILES | CC(=O)CC1CCCCCC1 |
| InChIKey | DBJBBHFNZNOEHS-UHFFFAOYSA-N |
| PubChem CID | 227413 |
| DTXSID | DTXSID00280885 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 121 |
| Boiling point | 208.8±8.0 °C(Predicted) |
| Density | 0.879±0.06 g/cm3(Predicted) |