HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 3-(7-nitroquinolin-6-yl)prop-2-enoate
Identifiers & Physical Properties
| Molecular formula | C13H10N2O4 |
|---|---|
| Average molar mass | 258.23 g/mol |
| Monoisotopic mass | 258.0640568 g/mol |
| SMILES | COC(=O)C=Cc1cc2cccnc2cc1[N+](=O)[O-] |
| InChIKey | DDSIRLJHSWVFCK-UHFFFAOYSA-N |
| PubChem CID | 68536282 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 85 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 377 |