HuagongsheHuagongshe Chemistry Print Report · For research reference only
(S)-5-(nitrooxy)hexanoic acid
Identifiers & Physical Properties
| Molecular formula | C6H11NO5 |
|---|---|
| Average molar mass | 177.16 g/mol |
| SMILES | C[C@@H](CCCC(=O)O)O[N+](=O)[O-] |
| InChIKey | WCJMWGWSDDVBOJ-YFKPBYRVSA-N |
| PubChem CID | 58231663 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 92.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 164 |