Home Nitriles 1,1-Cyclohexanedicarbonitrile

1,1-Cyclohexanedicarbonitrile

CAS No.:
5222-53-7
Catalog Number:
AG00DS3E
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DS3E
Chemical Name:
1,1-Cyclohexanedicarbonitrile
CAS Number:
5222-53-7
MDL Number:
MFCD19313173
IUPAC Name:
cyclohexane-1,1-dicarbonitrile
InChI:
InChI=1S/C8H10N2/c9-6-8(7-10)4-2-1-3-5-8/h1-5H2
InChI Key:
WMEXDXWNPYTTQQ-UHFFFAOYSA-N
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.182g/mol
Monoisotopic Mass:
134.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Second monoclinic modification of cyclo-hexane-1,1-dicarbonitrile. Acta crystallographica. Section E, Structure reports online 20110701
Properties