Home Nitriles 3-oxo-2-phenylbutanenitrile

3-oxo-2-phenylbutanenitrile

CAS No.:
57115-24-9
Catalog Number:
AG00ELKO
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ELKO
Chemical Name:
3-oxo-2-phenylbutanenitrile
CAS Number:
57115-24-9
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD23713812
IUPAC Name:
3-oxo-2-pyridin-2-ylbutanenitrile
InChI:
InChI=1S/C9H8N2O/c1-7(12)8(6-10)9-4-2-3-5-11-9/h2-5,8H,1H3
InChI Key:
ZKSFBSZAPWNWFK-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccn1)C(=O)C
NSC Number:
324619
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties