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

1,2-Benzenedicarbonitrile, 4,5-dimethoxy-

CAS No.:
88946-67-2
Catalog Number:
AG0047J4
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG0047J4
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-dimethoxy-
CAS Number:
88946-67-2
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD27931583
IUPAC Name:
4,5-dimethoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C10H8N2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,1-2H3
InChI Key:
BDSTWWJVHJRQHV-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(cc1OC)C#N
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