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Home > Nitro Compounds > 2562-37-0
2562-37-0 | 1-Nitro-Cyclohexene
CAS No: 2562-37-0 Catalog No: AG0032TN MDL No:MFCD00001540
Product Description
Catalog Number:
AG0032TN
Chemical Name:
1-Nitro-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 |
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