Home Nitriles 3-oxo-2-phenylhexanenitrile

3-oxo-2-phenylhexanenitrile

CAS No.:
105909-68-0
Catalog Number:
AG01DX9J
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
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Product Description
Catalog Number:
AG01DX9J
Chemical Name:
3-oxo-2-phenylhexanenitrile
CAS Number:
105909-68-0
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD11208535
IUPAC Name:
3-oxo-2-phenylhexanenitrile
InChI:
InChI=1S/C12H13NO/c1-2-6-12(14)11(9-13)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3
InChI Key:
WOWZLACRYYWSFE-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(c1ccccc1)C#N
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties