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Home > Pyridines > 1515367-58-4
1515367-58-4 | 4,4-dimethyl-3-oxo-2-(pyridin-3-yl)pentanenitrile
CAS No: 1515367-58-4 Catalog No: AG01BK99 MDL No:MFCD23924336
Product Description
Catalog Number:
AG01BK99
Chemical Name:
4,4-dimethyl-3-oxo-2-(pyridin-3-yl)pentanenitrile
CAS Number:
1515367-58-4
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD23924336
IUPAC Name:
4,4-dimethyl-3-oxo-2-pyridin-3-ylpentanenitrile
InChI:
InChI=1S/C12H14N2O/c1-12(2,3)11(15)10(7-13)9-5-4-6-14-8-9/h4-6,8,10H,1-3H3
InChI Key:
QYEYWCTYNOICLK-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)C(C)(C)C)c1cccnc1
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
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