Home Nitriles 4-(cyanomethoxy)benzonitrile

4-(cyanomethoxy)benzonitrile

CAS No.:
83663-87-0
Catalog Number:
AG019ZQC
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
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Product Description
Catalog Number:
AG019ZQC
Chemical Name:
4-(cyanomethoxy)benzonitrile
CAS Number:
83663-87-0
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD09940992
IUPAC Name:
4-(cyanomethoxy)benzonitrile
InChI:
InChI=1S/C9H6N2O/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4H,6H2
InChI Key:
QOWBBBGCACYSHD-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)C#N
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties