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Home Other Building Blocks 2-Nitrocyclohexanone

2-Nitrocyclohexanone

CAS No.:
4883-67-4
Catalog Number:
AG003HSL
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG003HSL
Chemical Name:
2-Nitrocyclohexanone
CAS Number:
4883-67-4
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
MDL Number:
MFCD00001627
IUPAC Name:
2-nitrocyclohexan-1-one
InChI:
InChI=1S/C6H9NO3/c8-6-4-2-1-3-5(6)7(9)10/h5H,1-4H2
InChI Key:
SZNILIWUUKKNPE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1[N+](=O)[O-]
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Asymmetric Michael additions of α-nitrocyclohexanone to aryl nitroalkenes catalyzed by natural amino acid-derived bifunctional thioureas. Organic letters 20120907
Effect of ring size on the tautomerization and ionization reaction of cyclic 2-nitroalkanones: an experimental and theoretical study. The Journal of organic chemistry 20120120
The base-catalyzed keto-enol interconversion of 2-nitrocyclohexanone in ionic liquids. The Journal of organic chemistry 20090904
Solvent effects on the rate of the keto-enol interconversion of 2-nitrocyclohexanone. Organic & biomolecular chemistry 20081121
Ionization and tautomerization of 2-nitrocyclohexanone in aqueous solution. The Journal of organic chemistry 20070525
Determination of the polarities of some ionic liquids using 2-nitrocyclohexanone as the probe. The Journal of organic chemistry 20050930
Nitrite elimination and hydrolytic ring cleavage in 2,4,6-trinitrophenol (picric acid) degradation. Applied and environmental microbiology 20040501
Properties