NYH
1-nitrocyclohexene
Created: | 2008-10-28 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 18 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1-nitrocyclohexene |
Systematic Name (OpenEye OEToolkits) | 1-nitrocyclohexene |
Formula | C6 H9 N O2 |
Molecular Weight | 127.141 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)C1=CCCCC1 |
SMILES | CACTVS | 3.341 | [O-][N+](=O)C1=CCCCC1 |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(=CC1)[N+](=O)[O-] |
Canonical SMILES | CACTVS | 3.341 | [O-][N+](=O)C1=CCCCC1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(=CC1)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2 |
InChIKey | InChI | 1.03 | DJBRXNRKYAWTBL-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 75713 |
ChEBI | CHEBI:73802 |