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Home Other Building Blocks 1-Nitro-1-cyclohexene

1-Nitro-1-cyclohexene

CAS No.:
2562-37-0
Catalog Number:
AG0032TN
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0032TN
Chemical Name:
1-Nitro-1-cyclohexene
CAS Number:
2562-37-0
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD00001540
IUPAC Name:
1-nitrocyclohexene
InChI:
InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2
InChI Key:
DJBRXNRKYAWTBL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=CCCCC1
EC Number:
219-883-0
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/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
Nitroreductase from Salmonella typhimurium: characterization and catalytic activity. Organic & biomolecular chemistry 20100421
Stereospecific synthesis of conformationally constrained gamma-amino acids: new foldamer building blocks that support helical secondary structure. Journal of the American Chemical Society 20091111
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