HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[(2-Butoxyphenoxy)methyl]oxirane
![2-[(2-Butoxyphenoxy)methyl]oxirane molecular structure](/img/chemical/20249276.png)
Identifiers & Physical Properties
| CAS No. | 53828-22-1 |
|---|---|
| Molecular formula | C13H18O3 |
| Average molar mass | 222.28 g/mol |
| Monoisotopic mass | 222.12559443 g/mol |
| SMILES | CCCCOc1ccccc1OCC1CO1 |
| InChIKey | GVKQKGSVGRYSDK-UHFFFAOYSA-N |
| PubChem CID | 20249276 |
| DTXSID | DTXSID30604095 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 31 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 7 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 196 |