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Home > Pyridines > 823226-95-5
823226-95-5 | Benzonitrile, 2-[6-(3-pyridinyl)-3-hexene-1,5-diynyl]-
CAS No: 823226-95-5 Catalog No: AG005E67 MDL No:
Product Description
Catalog Number:
AG005E67
Chemical Name:
Benzonitrile, 2-[6-(3-pyridinyl)-3-hexene-1,5-diynyl]-
CAS Number:
823226-95-5
Molecular Formula:
C18H10N2
Molecular Weight:
254.2854
IUPAC Name:
2-(6-pyridin-3-ylhex-3-en-1,5-diynyl)benzonitrile
InChI:
InChI=1S/C18H10N2/c19-14-18-12-6-5-11-17(18)10-4-2-1-3-8-16-9-7-13-20-15-16/h1-2,5-7,9,11-13,15H
InChI Key:
MUYFUCIUTKFTEQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C#CC=CC#Cc1cccnc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.292g/mol
Monoisotopic Mass:
254.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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