HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 3-(5-hexyl-4,5-dihydro-1,2-oxazol-3-YL)propanoate
Identifiers & Physical Properties
| CAS No. | 65429-72-3 |
|---|---|
| Molecular formula | C13H23NO3 |
| Average molar mass | 241.33 g/mol |
| Monoisotopic mass | 241.1677936 g/mol |
| SMILES | CCCCCCC1CC(CCC(=O)OC)=NO1 |
| InChIKey | IDRUVWVNFBQOBI-UHFFFAOYSA-N |
| PubChem CID | 12376596 |
| DTXSID | DTXSID70495141 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 47.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 263 |