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Home Nitriles 2-(Propan-2-ylidene)propanedinitrile

2-(Propan-2-ylidene)propanedinitrile

CAS No.:
13166-10-4
Catalog Number:
AG00352A
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
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Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$19
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Product Description
Catalog Number:
AG00352A
Chemical Name:
2-(Propan-2-ylidene)propanedinitrile
CAS Number:
13166-10-4
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD00082572
IUPAC Name:
2-propan-2-ylidenepropanedinitrile
InChI:
InChI=1S/C6H6N2/c1-5(2)6(3-7)4-8/h1-2H3
InChI Key:
NVBHWAQBDJEGEO-UHFFFAOYSA-N
SMILES:
N#CC(C(=C(C)C)C#N)O
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Phospha-Michael additions to activated internal alkenes: steric and electronic effects. The Journal of organic chemistry 20120203
2-[(E)-4-(2-Bromo-phen-yl)but-3-en-2-yl-idene]malononitrile. Acta crystallographica. Section E, Structure reports online 20101201
Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20050801
Properties