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Home > Other Heterocycles > 7399-31-7
7399-31-7 | Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile
CAS No: 7399-31-7 Catalog No: AG005AFJ MDL No:
Product Description
Catalog Number:
AG005AFJ
Chemical Name:
Bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile
CAS Number:
7399-31-7
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
IUPAC Name:
bicyclo[2.2.2]oct-2-ene-2,3-dicarbonitrile
InChI:
InChI=1S/C10H10N2/c11-5-9-7-1-2-8(4-3-7)10(9)6-12/h7-8H,1-4H2
InChI Key:
FTWKCPDQGHRTGD-UHFFFAOYSA-N
SMILES:
N#CC1=C(C#N)C2CCC1CC2
NSC Number:
55199
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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