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Home > Pyridines > 113744-14-2
113744-14-2 | Benzonitrile, 4-[5-(4-penten-1-yl)-2-pyridinyl]-
CAS No: 113744-14-2 Catalog No: AG0009JD MDL No:
Product Description
Catalog Number:
AG0009JD
Chemical Name:
Benzonitrile, 4-[5-(4-penten-1-yl)-2-pyridinyl]-
CAS Number:
113744-14-2
Molecular Formula:
C17H16N2
Molecular Weight:
248.3223
IUPAC Name:
4-(5-pent-4-enylpyridin-2-yl)benzonitrile
InChI:
InChI=1S/C17H16N2/c1-2-3-4-5-15-8-11-17(19-13-15)16-9-6-14(12-18)7-10-16/h2,6-11,13H,1,3-5H2
InChI Key:
LTYBFPFJGNXWJW-UHFFFAOYSA-N
SMILES:
C=CCCCc1ccc(nc1)c1ccc(cc1)C#N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.329g/mol
Monoisotopic Mass:
248.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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