Home Nitriles 3,6-Dimethoxyphthalonitrile

3,6-Dimethoxyphthalonitrile

CAS No.:
40904-87-8
Catalog Number:
AG0073ZX
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$410
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Product Description
Catalog Number:
AG0073ZX
Chemical Name:
3,6-Dimethoxyphthalonitrile
CAS Number:
40904-87-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00884659
IUPAC Name:
3,6-dimethoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C10H8N2O2/c1-13-9-3-4-10(14-2)8(6-12)7(9)5-11/h3-4H,1-2H3
InChI Key:
RBECBXIJJTWGFS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C#N)C#N)OC
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties