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1122-60-7 | Nitro-Cyclohexane
CAS No: 1122-60-7 Catalog No: AG0035E4 MDL No:MFCD00003843
Product Description
Catalog Number:
AG0035E4
Chemical Name:
Nitro-Cyclohexane
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 |
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