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Home Other Building Blocks Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-d12

Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-d12

CAS No.:
1735-17-7
Catalog Number:
AG001YYZ
Molecular Formula:
C6D12
Molecular Weight:
96.2334
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Product Description
Catalog Number:
AG001YYZ
Chemical Name:
Cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-d12
CAS Number:
1735-17-7
Molecular Formula:
C6D12
Molecular Weight:
96.2334
MDL Number:
MFCD00044212
IUPAC Name:
1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane
InChI:
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChI Key:
XDTMQSROBMDMFD-LBTWDOQPSA-N
SMILES:
C1([2H])([2H])C([2H])([2H])C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H]
EC Number:
217-077-3
Properties
Complexity:
15.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.169g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
12  
Molecular Weight:
96.235g/mol
Monoisotopic Mass:
96.169g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Stable carbon and hydrogen isotope fractionation of dissolved organic groundwater pollutants by equilibrium sorption. Journal of contaminant hydrology 20120315
Accurate determination of the structure of cyclohexane by femtosecond rotational coherence spectroscopy and ab initio calculations. The journal of physical chemistry. A 20110901
6-O-Modified beta-cyclodextrin enabling inclusion complex formation in nonpolar media. Organic letters 20091119
Effect of solvent quality on aggregate structures of common surfactants. Langmuir : the ACS journal of surfaces and colloids 20081104
Ultrafast study of p-biphenylyldiazoethane. The chemistry of the diazo excited state and the relaxed carbene. Journal of the American Chemical Society 20070307
Analysis of pore size distribution by 2H NMR. The Analyst 20070201
Influence of isotopic substitution on the diffusion and thermal diffusion coefficient of binary liquids. The European physical journal. E, Soft matter 20061201
An experimental and theoretical study of spin-spin coupling in chlorosilanes. The journal of physical chemistry. A 20060817
Endo entry to the nortricyclyl-norbornenyl cation system: stereochemistry in the fragmentation of endo-5-norbornenyl-2-oxychlorocarbene. The Journal of organic chemistry 20051014
Trapping, stabilization, and characterization of an enolate anion of a 1,6-adduct of benzophenone chelated by a sodium alkylamidozincate cation. Journal of the American Chemical Society 20050928
Universal isotope effect in thermal diffusion of mixtures containing cyclohexane and cyclohexane-d12. The Journal of chemical physics 20050701
New approaches to the visualization, quantification and explanation of acid-induced water loss from Ca-alginate hydrogel beads. Journal of microencapsulation 20040801
Rearrangements concerted with fragmentation of cyclopropylmethoxychlorocarbene and cyclobutoxychlorocarbene in hydrocarbon solvents and Ar matrices. Journal of the American Chemical Society 20040714
Organolanthanide-catalyzed intramolecular hydroamination/cyclization/bicyclization of sterically encumbered substrates. Scope, selectivity, and catalyst thermal stability for amine-tethered unactivated 1,2-disubstituted alkenes. The Journal of organic chemistry 20040220
A weak, short metal-metal bond in a chromium(II) amidinate complex. Journal of the American Chemical Society 20030702
On the mechanism of (PCP)Ir-catalyzed acceptorless dehydrogenation of alkanes: a combined computational and experimental study. Journal of the American Chemical Society 20020925
Radical and non-radical mechanisms for alkane oxidations by hydrogen peroxide-trifluoroacetic acid. The Journal of organic chemistry 20010209
Properties