Home Nitriles 3-oxo-2-(pyridin-3-yl)butanenitrile

3-oxo-2-(pyridin-3-yl)butanenitrile

CAS No.:
90417-12-2
Catalog Number:
AG01BTWA
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG01BTWA
Chemical Name:
3-oxo-2-(pyridin-3-yl)butanenitrile
CAS Number:
90417-12-2
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD23924346
IUPAC Name:
3-oxo-2-pyridin-3-ylbutanenitrile
InChI:
InChI=1S/C9H8N2O/c1-7(12)9(5-10)8-3-2-4-11-6-8/h2-4,6,9H,1H3
InChI Key:
ZYLDVPZWZDHLBO-UHFFFAOYSA-N
SMILES:
N#CC(c1cccnc1)C(=O)C
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