Home Nitriles (cyclohexylmethylene)malononitrile

(cyclohexylmethylene)malononitrile

CAS No.:
73776-46-2
Catalog Number:
AG00FMR4
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
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Product Description
Catalog Number:
AG00FMR4
Chemical Name:
(cyclohexylmethylene)malononitrile
CAS Number:
73776-46-2
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD03369919
IUPAC Name:
2-(cyclohexylmethylidene)propanedinitrile
InChI:
InChI=1S/C10H12N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h6,9H,1-5H2
InChI Key:
IRQZCBXAJLFHMZ-UHFFFAOYSA-N
SMILES:
N#CC(=CC1CCCCC1)C#N
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties