Home Nitriles 2-methyl-4-oxo-4-phenylbutanenitrile

2-methyl-4-oxo-4-phenylbutanenitrile

CAS No.:
51765-78-7
Catalog Number:
AG01B9YF
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
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Product Description
Catalog Number:
AG01B9YF
Chemical Name:
2-methyl-4-oxo-4-phenylbutanenitrile
CAS Number:
51765-78-7
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD16068037
IUPAC Name:
2-methyl-4-oxo-4-phenylbutanenitrile
InChI:
InChI=1S/C11H11NO/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChI Key:
WVAUYTNUCMNFOI-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccccc1)C#N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties