HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Cyano-4-n-propyl coumarin
Identifiers & Physical Properties
| Molecular formula | C13H11NO2 |
|---|---|
| Average molar mass | 213.23 g/mol |
| Monoisotopic mass | 213.07897859 g/mol |
| SMILES | CCCc1c(C#N)c(=O)oc2ccccc12 |
| InChIKey | QYFMBGJKYQCXIQ-UHFFFAOYSA-N |
| PubChem CID | 21397874 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 50.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 375 |