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Home > Other Heterocycles > 96563-66-5
96563-66-5 | 2-Oxabicyclo[2.2.2]oct-5-ene-3,3-dicarbonitrile
CAS No: 96563-66-5 Catalog No: AG005TNU MDL No:
Product Description
Catalog Number:
AG005TNU
Chemical Name:
2-Oxabicyclo[2.2.2]oct-5-ene-3,3-dicarbonitrile
CAS Number:
96563-66-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
2-oxabicyclo[2.2.2]oct-5-ene-3,3-dicarbonitrile
InChI:
InChI=1S/C9H8N2O/c10-5-9(6-11)7-1-3-8(12-9)4-2-7/h1,3,7-8H,2,4H2
InChI Key:
GQLLHXUCZGKQMM-UHFFFAOYSA-N
SMILES:
N#CC1(OC2CCC1C=C2)C#N
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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