HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Hydroxymethyl)-6-nitrobenzonitrile
Identifiers & Physical Properties
| Molecular formula | C8H6N2O3 |
|---|---|
| Average molar mass | 178.14 g/mol |
| Monoisotopic mass | 178.03784206 g/mol |
| SMILES | N#Cc1c(CO)cccc1[N+](=O)[O-] |
| InChIKey | ILCKSNQDNFQIIO-UHFFFAOYSA-N |
| PubChem CID | 67401034 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 89.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 240 |