HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Oxabicyclo[4.1.0]heptane, 1-(phenylethynyl)-
![7-Oxabicyclo[4.1.0]heptane, 1-(phenylethynyl)- molecular structure](/img/chemical/11217841.png)
Identifiers & Physical Properties
| CAS No. | 87955-56-4 |
|---|---|
| Molecular formula | C14H14O |
| Average molar mass | 198.26 g/mol |
| Monoisotopic mass | 198.10446507 g/mol |
| SMILES | C(#CC12CCCCC1O2)c1ccccc1 |
| InChIKey | IEKKOVKGAAEDKQ-UHFFFAOYSA-N |
| PubChem CID | 11217841 |
| DTXSID | DTXSID80459052 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 12.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 302 |