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STYRENE-D8

CAS No.:
19361-62-7
Catalog Number:
AG003UG0
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003UG0
Chemical Name:
STYRENE-D8
CAS Number:
19361-62-7
MDL Number:
MFCD00044231
IUPAC Name:
1,2,3,4,5-pentadeuterio-6-(1,2,2-trideuterioethenyl)benzene
InChI:
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i1D2,2D,3D,4D,5D,6D,7D
InChI Key:
PPBRXRYQALVLMV-GDALLCCDSA-N
EC Number:
242-995-6
Properties
Complexity:
68.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.113g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
8  
Molecular Weight:
112.201g/mol
Monoisotopic Mass:
112.113g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Evaluation of internal standards for the analysis of ignitable liquids in fire debris. Journal of forensic sciences 20090301
Kinetics and thermodynamics of H. transfer from (eta5-C5R5)Cr(CO)3H (R = Ph, Me, H) to methyl methacrylate and styrene. Journal of the American Chemical Society 20030820
Liquid chromatography/electrospray tandem mass spectrometry characterization of styrene metabolism in man and in rat. Rapid communications in mass spectrometry : RCM 20020101
Properties