Home Nitriles 2-benzoylbutanenitrile

2-benzoylbutanenitrile

CAS No.:
7391-31-3
Catalog Number:
AG01BTKM
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
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Product Description
Catalog Number:
AG01BTKM
Chemical Name:
2-benzoylbutanenitrile
CAS Number:
7391-31-3
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD12115815
IUPAC Name:
2-benzoylbutanenitrile
InChI:
InChI=1S/C11H11NO/c1-2-9(8-12)11(13)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChI Key:
DAWKKCQLIURYLL-UHFFFAOYSA-N
SMILES:
CCC(C(=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:
2.4  
Properties