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100-64-1 | Cyclohexanone, oxime
CAS No: 100-64-1 Catalog No: AG000072 MDL No:MFCD00001660
Product Description
Catalog Number:
AG000072
Chemical Name:
Cyclohexanone, oxime
CAS Number:
100-64-1
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD00001660
IUPAC Name:
N-cyclohexylidenehydroxylamine
InChI:
InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
InChI Key:
VEZUQRBDRNJBJY-UHFFFAOYSA-N
SMILES:
ON=C1CCCCC1
EC Number:
202-874-0
UNII:
2U60L00CGF
NSC Number:
6300
UN Number:
2811
Properties
Complexity:
90.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001 |
| Reusable task-specific ionic liquids for a clean ε-caprolactam synthesis under mild conditions. | ChemSusChem 20101217 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Oximes: metabolic activation and structure-allergenic activity relationships. | Journal of medicinal chemistry 20080424 |
| Hierarchically structured monolithic silicalite-1 consisting of crystallized nanoparticles and its performance in the Beckmann rearrangement of cyclohexanone oxime. | Journal of the American Chemical Society 20050914 |
| Analysis of rat bone marrow by flow cytometry following in vivo exposure to cyclohexanone oxime or daunomycin HCl. | Toxicology and applied pharmacology 20021115 |
| Anomalous mutagenicity profile of cyclohexanone oxime in bacteria: cell survival in background lawns. | Mutation research 20011018 |
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