HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl beta-oxo-alpha-phenylbenzenepropanoate
Ethyl benzoylphenylacetate · Benzenepropanoic acid, β-oxo-α-phenyl-, ethyl ester
Identifiers & Physical Properties
| CAS No. | 58929-02-5 |
|---|---|
| Molecular formula | C17H16O3 |
| Average molar mass | 268.31 g/mol |
| Monoisotopic mass | 268.10994437 g/mol |
| SMILES | CCOC(=O)C(C(=O)c1ccccc1)c1ccccc1 |
| InChIKey | GMBJPUOXLMBZOU-UHFFFAOYSA-N |
| PubChem CID | 11010997 |
| DTXSID | DTXSID801287722 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 325 |