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Nitrocyclohexane

CAS No.:
1122-60-7
Catalog Number:
AG0035E4
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$127
- +
5g
>95.0%(GC)
1 week
United States
$181
- +
25g
>95.0%(GC)
1 week
United States
$516
- +
Product Description
Catalog Number:
AG0035E4
Chemical Name:
Nitrocyclohexane
CAS Number:
1122-60-7
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD00003843
IUPAC Name:
nitrocyclohexane
InChI:
InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChI Key:
NJNQUTDUIPVROZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCCCC1
EC Number:
214-354-0
UNII:
LL1X024M73
NSC Number:
66277
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Reaction of morphinone reductase with 2-cyclohexen-1-one and 1-nitrocyclohexene: proton donation, ligand binding, and the role of residues Histidine 186 and Asparagine 189. The Journal of biological chemistry 20050318
Properties