Home Nitriles 1,2-Benzenedicarbonitrile, 4,5-dimethyl-

1,2-Benzenedicarbonitrile, 4,5-dimethyl-

CAS No.:
36360-43-7
Catalog Number:
AG007A3Y
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
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Product Description
Catalog Number:
AG007A3Y
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-dimethyl-
CAS Number:
36360-43-7
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD28964903
IUPAC Name:
4,5-dimethylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C10H8N2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4H,1-2H3
InChI Key:
NNTKZPQZOSKWDE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(cc1C#N)C
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties