Home Nitriles (4-Methoxy-phenyl)-oxo-acetonitrile

(4-Methoxy-phenyl)-oxo-acetonitrile

CAS No.:
14271-83-1
Catalog Number:
AG007KRN
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
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Product Description
Catalog Number:
AG007KRN
Chemical Name:
(4-Methoxy-phenyl)-oxo-acetonitrile
CAS Number:
14271-83-1
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD06658462
IUPAC Name:
4-methoxybenzoyl cyanide
InChI:
InChI=1S/C9H7NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,1H3
InChI Key:
JIMIZSCETMDNEU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C#N
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Quantitative evaluation of the mechanism of electroreduction of benzoyl cyanides. The Journal of organic chemistry 20070119
Properties