N6C
Summary
| Name: | 1-nitrohexane |
| Formula: | C6 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 131.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-nitrohexane |
| OpenEye OEToolkits | 1.5.0 | 1-nitrohexane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)CCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CCCCCC[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3 |
| InChIKey | InChI | 1.03 | FEYJIFXFOHFGCC-UHFFFAOYSA-N |
