N1P
Summary
| Name: | 1-nitropropane |
| Formula: | C3 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 89.093 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-nitropropane |
| OpenEye OEToolkits | 1.7.6 | 1-nitropropane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)CCC |
| InChI | InChI | 1.03 | InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 |
| InChIKey | InChI | 1.03 | JSZOAYXJRCEYSX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CCC[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC[N+](=O)[O-] |
