Home Nitriles Benzenepropanenitrile, a-acetyl-a-phenyl-

Benzenepropanenitrile, a-acetyl-a-phenyl-

CAS No.:
73747-26-9
Catalog Number:
AG005BTD
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$312
- +
5g
1 week
United States
$1099
- +
10g
1 week
United States
$2116
- +
25g
1 week
United States
$4206
- +
Product Description
Catalog Number:
AG005BTD
Chemical Name:
Benzenepropanenitrile, a-acetyl-a-phenyl-
CAS Number:
73747-26-9
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
MDL Number:
MFCD00019776
IUPAC Name:
2-benzyl-3-oxo-2-phenylbutanenitrile
InChI:
InChI=1S/C17H15NO/c1-14(19)17(13-18,16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11H,12H2,1H3
InChI Key:
NJQKSQKWNYLCIL-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)(C(=O)C)Cc1ccccc1
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties