CAS 13121-99-8 | 4-Pyridineacetonitrile | CAS Number 13121-99-8

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13121-99-8 | 4-Pyridineacetonitrile

CAS No: 13121-99-8 Catalog No: AG000VR6 MDL No:MFCD03412601

Product Description

Catalog Number:

AG000VR6

Chemical Name:

4-Pyridineacetonitrile

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

118.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

118.139g/mol

Monoisotopic Mass:

118.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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