NYH

1-nitrocyclohexene

Created: 2008-10-28
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count18
Aromatic Bond Count0
2D diagram of NYH

Chemical Component Summary

Name1-nitrocyclohexene
Systematic Name (OpenEye OEToolkits)1-nitrocyclohexene
FormulaC6 H9 N O2
Molecular Weight127.141
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-][N+](=O)C1=CCCCC1
SMILESCACTVS3.341[O-][N+](=O)C1=CCCCC1
SMILESOpenEye OEToolkits1.5.0C1CCC(=CC1)[N+](=O)[O-]
Canonical SMILESCACTVS3.341 [O-][N+](=O)C1=CCCCC1
Canonical SMILESOpenEye OEToolkits1.5.0 C1CCC(=CC1)[N+](=O)[O-]
InChIInChI1.03 InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyInChI1.03 DJBRXNRKYAWTBL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 75713
ChEBI CHEBI:73802