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Home > Other Heterocycles > 67209-49-8
67209-49-8 | Bicyclo[2.2.2]octa-5,7-diene-2-carbonitrile, 2-(acetyloxy)-
CAS No: 67209-49-8 Catalog No: AG006K7K MDL No:
Product Description
Catalog Number:
AG006K7K
Chemical Name:
Bicyclo[2.2.2]octa-5,7-diene-2-carbonitrile, 2-(acetyloxy)-
CAS Number:
67209-49-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
(2-cyano-2-bicyclo[2.2.2]octa-5,7-dienyl) acetate
InChI:
InChI=1S/C11H11NO2/c1-8(13)14-11(7-12)6-9-2-4-10(11)5-3-9/h2-5,9-10H,6H2,1H3
InChI Key:
MSJVNQALNHWZJB-UHFFFAOYSA-N
SMILES:
N#CC1(CC2C=CC1C=C2)OC(=O)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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