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Home > Other Heterocycles > 18341-68-9
18341-68-9 | Bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile
CAS No: 18341-68-9 Catalog No: AG0027KB MDL No:
Product Description
Catalog Number:
AG0027KB
Chemical Name:
Bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile
CAS Number:
18341-68-9
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
IUPAC Name:
bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarbonitrile
InChI:
InChI=1S/C10H6N2/c11-5-9-7-1-2-8(4-3-7)10(9)6-12/h1-4,7-8H
InChI Key:
JLZQXEVYBVMWQM-UHFFFAOYSA-N
SMILES:
N#CC1=C(C#N)C2C=CC1C=C2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.172g/mol
Monoisotopic Mass:
154.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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