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Home Nitriles 4,4-dimethyl-3-oxo-2-(pyridin-2-yl)pentanenitrile

4,4-dimethyl-3-oxo-2-(pyridin-2-yl)pentanenitrile

CAS No.:
1485664-04-7
Catalog Number:
AG01BK6W
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
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Product Description
Catalog Number:
AG01BK6W
Chemical Name:
4,4-dimethyl-3-oxo-2-(pyridin-2-yl)pentanenitrile
CAS Number:
1485664-04-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD23713839
IUPAC Name:
4,4-dimethyl-3-oxo-2-pyridin-2-ylpentanenitrile
InChI:
InChI=1S/C12H14N2O/c1-12(2,3)11(15)9(8-13)10-6-4-5-7-14-10/h4-7,9H,1-3H3
InChI Key:
PVVSAEXOCUINMH-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)C(C)(C)C)c1ccccn1
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties