HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 4-[4-(4-methoxyphenoxy)phenyl]-4-oxobut-2-enoate
![Ethyl 4-[4-(4-methoxyphenoxy)phenyl]-4-oxobut-2-enoate molecular structure](/img/chemical/54317618.png)
Identifiers & Physical Properties
| CAS No. | 88113-17-1 |
|---|---|
| Molecular formula | C19H18O5 |
| Average molar mass | 326.3 g/mol |
| Monoisotopic mass | 326.11542367 g/mol |
| SMILES | CCOC(=O)C=CC(=O)c1ccc(Oc2ccc(OC)cc2)cc1 |
| InChIKey | SPIUQLHTBCKTHM-UHFFFAOYSA-N |
| PubChem CID | 54317618 |
| DTXSID | DTXSID60710537 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 61.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 8 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 429 |