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Home Nitriles Pyridin-4-yl-acetonitrile

Pyridin-4-yl-acetonitrile

CAS No.:
13121-99-8
Catalog Number:
AG000VR6
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97%
In Stock USA
United States
$61
- +
5g
>97%
In Stock USA
United States
$228
- +
25g
95%
In Stock USA
United States
$994
- +
Product Description
Catalog Number:
AG000VR6
Chemical Name:
Pyridin-4-yl-acetonitrile
CAS Number:
13121-99-8
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD03412601
IUPAC Name:
2-pyridin-4-ylacetonitrile
InChI:
InChI=1S/C7H6N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1H2
InChI Key:
BMVSAKPRNWZCPG-UHFFFAOYSA-N
SMILES:
N#CCc1ccncc1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Synthesis, spectral characterization and in vitro antimicrobial activity of some new azopyridine derivatives. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120401
(Z)-3-Ferrocenyl-2-(4-pyridyl)-propene-nitrile. Acta crystallographica. Section E, Structure reports online 20080801
Oxidative dehydrogenation on the alpha-carbon of 4-pyridylacetonitrile complexes of pentaammineruthenium(II). Inorganic chemistry 20011119
Properties