Home Nitriles 2,3-Bis(4-methoxyphenyl)propanenitrile

2,3-Bis(4-methoxyphenyl)propanenitrile

CAS No.:
72035-46-2
Catalog Number:
AG01EN0X
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
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Product Description
Catalog Number:
AG01EN0X
Chemical Name:
2,3-Bis(4-methoxyphenyl)propanenitrile
CAS Number:
72035-46-2
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
MDL Number:
MFCD00025822
IUPAC Name:
2,3-bis(4-methoxyphenyl)propanenitrile
InChI:
InChI=1S/C17H17NO2/c1-19-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(20-2)10-6-14/h3-10,15H,11H2,1-2H3
InChI Key:
WXTLYNYQEYBSHU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(c1ccc(cc1)OC)C#N
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Discovery of diarylacrylonitriles as a novel series of small molecule sortase A inhibitors. Journal of medicinal chemistry 20040506
Properties