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Home > Other Heterocycles > 1017-93-2
1017-93-2 | Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile
CAS No: 1017-93-2 Catalog No: AG000591 MDL No:
Product Description
Catalog Number:
AG000591
Chemical Name:
Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile
CAS Number:
1017-93-2
Molecular Formula:
C12H8N4
Molecular Weight:
208.2187
IUPAC Name:
bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile
InChI:
InChI=1S/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(11,7-15)8-16/h1-2,9-10H,3-4H2
InChI Key:
GFDRDNGZQZLSRI-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C2CCC(C1(C#N)C#N)C=C2
NSC Number:
42845
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.224g/mol
Monoisotopic Mass:
208.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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