Home Nitro Compounds 4883-67-4
4883-67-4,MFCD00001627
Catalog No.:AA003HPT
4883-67-4 | 2-Nitrocyclohexanone
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Technical Information
Catalog Number:
AA003HPT
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
Computed 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  

Synonyms
 
2-nitrocyclohexanone 
2-Nitrocyclohexanone 
AC1LAVBU 
2-nitro-cyclohexan-1-one 
2-Nitrocyclohexanone, 99% 
SCHEMBL2159399 
CTK1D5271 
DTXSID50334589 
AKOS005137917 
QC-8583 
RP20816 
AB0097349 
4883-67-4 
TX-010025 
Z-9442 
J-510175 
I14-21234 
2-chlorothiazole-4-carboxylic acid 
CID521241 
Cyclohexanone, 2-nitro- (6CI, 7CI, 8CI, 9CI) 
Cyclohexanone, 2-nitro- 
2-nitro-cyclohexanone 
2-nitrocyclohexan-1-one 
.alpha.-Nitrocyclohexanone 
SZNILIWUUKKNPE-UHFFFAOYSA-N 
nitrocyclohexanone 
ACMC-20anoz 
Literature

Title: Asymmetric Michael additions of α-nitrocyclohexanone to aryl nitroalkenes catalyzed by natural amino acid-derived bifunctional thioureas.

Journal: Organic letters 20120907

Title: Effect of ring size on the tautomerization and ionization reaction of cyclic 2-nitroalkanones: an experimental and theoretical study.

Journal: The Journal of organic chemistry 20120120

Title: The base-catalyzed keto-enol interconversion of 2-nitrocyclohexanone in ionic liquids.

Journal: The Journal of organic chemistry 20090904

Title: Solvent effects on the rate of the keto-enol interconversion of 2-nitrocyclohexanone.

Journal: Organic & biomolecular chemistry 20081121

Title: Ionization and tautomerization of 2-nitrocyclohexanone in aqueous solution.

Journal: The Journal of organic chemistry 20070525

Title: Determination of the polarities of some ionic liquids using 2-nitrocyclohexanone as the probe.

Journal: The Journal of organic chemistry 20050930

Title: Nitrite elimination and hydrolytic ring cleavage in 2,4,6-trinitrophenol (picric acid) degradation.

Journal: Applied and environmental microbiology 20040501

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