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Home Other Building Blocks 1,4-Dioxane-2,2,3,3,5,5,6,6-d8

1,4-Dioxane-2,2,3,3,5,5,6,6-d8

CAS No.:
17647-74-4
Catalog Number:
AG0024P1
Molecular Formula:
C4D8O2
Molecular Weight:
96.1544
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Product Description
Catalog Number:
AG0024P1
Chemical Name:
1,4-Dioxane-2,2,3,3,5,5,6,6-d8
CAS Number:
17647-74-4
Molecular Formula:
C4D8O2
Molecular Weight:
96.1544
MDL Number:
MFCD00044239
IUPAC Name:
2,2,3,3,5,5,6,6-octadeuterio-1,4-dioxane
InChI:
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2
InChI Key:
RYHBNJHYFVUHQT-SVYQBANQSA-N
SMILES:
C1([2H])([2H])OC([2H])([2H])C(OC1([2H])[2H])([2H])[2H]
EC Number:
241-628-7
Properties
Complexity:
26.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.103g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
8  
Molecular Weight:
96.155g/mol
Monoisotopic Mass:
96.103g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
A thermodynamic and kinetic characterization of the solvent dependence of the saddle-crown equilibrium of cyclotriveratrylene oxime. The journal of physical chemistry. A 20090723
Effect of solvent quality on aggregate structures of common surfactants. Langmuir : the ACS journal of surfaces and colloids 20081104
Determination of 1,4-dioxane in household detergents and cleaners. Journal of AOAC International 20080101
Conformational analyses of 2,3-dihydroxypropanoic acid as a function of solvent and ionization state as determined by NMR spectroscopy. Magnetic resonance in chemistry : MRC 20060301
Optimization of palladium-catalyzed polyene cyclizations: suppression of competing hydride transfer from tertiary amines with Dabco and an unexpected hydride transfer from 1,4-dioxane. Organic letters 20010125
Properties