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Benzene, ethenyl-1-d-

CAS No.:
1193-80-2
Catalog Number:
AG000IJR
Molecular Formula:
C8H7D
Molecular Weight:
105.1553
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Product Description
Catalog Number:
AG000IJR
Chemical Name:
Benzene, ethenyl-1-d-
CAS Number:
1193-80-2
Molecular Formula:
C8H7D
Molecular Weight:
105.1553
MDL Number:
MFCD00084180
IUPAC Name:
1-deuterioethenylbenzene
InChI:
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i2D
InChI Key:
PPBRXRYQALVLMV-VMNATFBRSA-N
SMILES:
C(=C)([2H])c1ccccc1
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:
105.069g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1  
Molecular Weight:
105.158g/mol
Monoisotopic Mass:
105.069g/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
Origin of pressure effects on regioselectivity and enantioselectivity in the rhodium-catalyzed hydroformylation of styrene with (S,S,S)-BisDiazaphos. Journal of the American Chemical Society 20100804
Alkene cis-dihydroxylation by [(Me3tacn)(CF3CO2)RuVI O2)]ClO4(Me(3)tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): structural characterization of [3 + 2] cycloadducts and kinetic studies. Journal of the American Chemical Society 20051019
Properties