Home Nitriles 3-[3-(benzyloxy)phenyl]propanenitrile

3-[3-(benzyloxy)phenyl]propanenitrile

CAS No.:
1027082-48-9
Catalog Number:
AG01BEB7
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
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Product Description
Catalog Number:
AG01BEB7
Chemical Name:
3-[3-(benzyloxy)phenyl]propanenitrile
CAS Number:
1027082-48-9
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
MDL Number:
MFCD22003067
IUPAC Name:
3-(3-phenylmethoxyphenyl)propanenitrile
InChI:
InChI=1S/C16H15NO/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h1-4,6-8,10,12H,5,9,13H2
InChI Key:
LXZQPQJROUIRJF-UHFFFAOYSA-N
SMILES:
N#CCCc1cccc(c1)OCc1ccccc1
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties