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1071089-08-1 | 2-methyl-3-oxo-3-(pyridin-3-yl)propanenitrile
CAS No: 1071089-08-1 Catalog No: AG019XI4 MDL No:MFCD11208744
Product Description
Catalog Number:
AG019XI4
Chemical Name:
2-methyl-3-oxo-3-(pyridin-3-yl)propanenitrile
CAS Number:
1071089-08-1
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD11208744
IUPAC Name:
2-methyl-3-oxo-3-pyridin-3-ylpropanenitrile
InChI:
InChI=1S/C9H8N2O/c1-7(5-10)9(12)8-3-2-4-11-6-8/h2-4,6-7H,1H3
InChI Key:
LKDLFENREDXOBV-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)c1cccnc1)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:
0.9
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