HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl (2Z)-2-cyano-3-(naphthalen-2-yl)prop-2-enoate
Ethyl 2-cyano-3-(2-naphthalenyl)-2-propenoate · ethyl (2Z)-2-cyano-3-(naphthalen-2-yl)prop-2-enoate · 2-Propenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester

Identifiers & Physical Properties
| CAS No. | 35688-72-3 |
|---|---|
| Molecular formula | C16H13NO2 |
| Average molar mass | 251.28 g/mol |
| Monoisotopic mass | 251.09462866 g/mol |
| SMILES | CCOC(=O)/C(C#N)=C\c1ccc2ccccc2c1 |
| InChIKey | OCPOYALXTVXRED-UHFFFAOYSA-N |
| PubChem CID | 5428362 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 50.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 404 |
| Melting point | 112 °C |
| Boiling point | 428.824±33.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.193±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |