Home Nitriles 4-(3-methoxyphenyl)-4-oxo-3-phenylbutanenitrile

4-(3-methoxyphenyl)-4-oxo-3-phenylbutanenitrile

CAS No.:
1443979-26-7
Catalog Number:
AG01A5P3
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
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Product Description
Catalog Number:
AG01A5P3
Chemical Name:
4-(3-methoxyphenyl)-4-oxo-3-phenylbutanenitrile
CAS Number:
1443979-26-7
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
MDL Number:
MFCD24842997
IUPAC Name:
4-(3-methoxyphenyl)-4-oxo-3-phenylbutanenitrile
InChI:
InChI=1S/C17H15NO2/c1-20-15-9-5-8-14(12-15)17(19)16(10-11-18)13-6-3-2-4-7-13/h2-9,12,16H,10H2,1H3
InChI Key:
HMXMGBYVCZQHCC-UHFFFAOYSA-N
SMILES:
N#CCC(C(=O)c1cccc(c1)OC)c1ccccc1
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties