Home Nitriles 3,6-dimethylphthalonitrile

3,6-dimethylphthalonitrile

CAS No.:
36715-95-4
Catalog Number:
AG019F0Y
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$393
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Product Description
Catalog Number:
AG019F0Y
Chemical Name:
3,6-dimethylphthalonitrile
CAS Number:
36715-95-4
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD28362872
IUPAC Name:
3,4-dimethylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C10H8N2/c1-7-3-4-9(5-11)10(6-12)8(7)2/h3-4H,1-2H3
InChI Key:
CIULPBFCSZUVLV-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)ccc(c1C)C
Properties
Complexity:
252  
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