HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-phenoxybutyrate
Identifiers & Physical Properties
| CAS No. | 143094-66-0 |
|---|---|
| Molecular formula | C11H14O3 |
| Average molar mass | 194.23 g/mol |
| Monoisotopic mass | 194.0942943 g/mol |
| SMILES | CCC(Oc1ccccc1)C(=O)OC |
| InChIKey | MFMSDSMLLUAITD-UHFFFAOYSA-N |
| PubChem CID | 15744136 |
| DTXSID | DTXSID101312316 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 173 |