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Ethanol-d6 (9CI)

CAS No.:
1516-08-1
Catalog Number:
AG001NFX
Molecular Formula:
C2D6O
Molecular Weight:
52.1054
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Product Description
Catalog Number:
AG001NFX
Chemical Name:
Ethanol-d6 (9CI)
CAS Number:
1516-08-1
Molecular Formula:
C2D6O
Molecular Weight:
52.1054
MDL Number:
MFCD00051020
IUPAC Name:
1,1,1,2,2-pentadeuterio-2-deuteriooxyethane
InChI:
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
InChI Key:
LFQSCWFLJHTTHZ-LIDOUZCJSA-N
SMILES:
O([2H])C(C([2H])([2H])[2H])([2H])[2H]
EC Number:
216-162-2
Properties
Complexity:
2.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
52.08g/mol
Formal Charge:
0
Heavy Atom Count:
3  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
6  
Molecular Weight:
52.106g/mol
Monoisotopic Mass:
52.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Robust and sensitive analysis of methanol and ethanol from cellulose degradation in mineral oils. Journal of chromatography. A 20120921
Neutron and beta/gamma radiolysis of water up to supercritical conditions. 1. beta/gamma yields for H(2), H(.) atom, and hydrated electron. The journal of physical chemistry. A 20070816
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
Forensic confirmatory analysis of ethyl sulfate--a new marker for alcohol consumption--by liquid-chromatography/electrospray ionization/tandem mass spectrometry. Journal of the American Society for Mass Spectrometry 20041101
Singlet-oxygen generation from A2E. Photochemistry and photobiology 20030301
Complete amino acid sequence and characterization of the reaction mechanism of a glucosamine-induced novel alcohol dehydrogenase from Agrobacterium radiobacter (tumefaciens). Archives of biochemistry and biophysics 20020215
Properties