CAS 1193-80-2 | Benzene, ethenyl-1-d- | CAS Number 1193-80-2

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1193-80-2 | Benzene, ethenyl-1-d-

CAS No: 1193-80-2 Catalog No: AG000IJR MDL No:

Product Description

Catalog Number:

AG000IJR

Chemical Name:

Benzene, ethenyl-1-d-

CAS Number:

1193-80-2

Molecular Formula:

C8H7D

Molecular Weight:

105.1553

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

105.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

105.158g/mol

Monoisotopic Mass:

105.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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