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Home > Other Heterocycles > 26458-78-6
26458-78-6 | 1-Azabicyclo[2.2.2]octane-4-carbonitrile
CAS No: 26458-78-6 Catalog No: AG002TAN MDL No:MFCD00276610
Product Description
Catalog Number:
AG002TAN
Chemical Name:
1-Azabicyclo[2.2.2]octane-4-carbonitrile
CAS Number:
26458-78-6
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD00276610
IUPAC Name:
1-azabicyclo[2.2.2]octane-4-carbonitrile
InChI:
InChI=1S/C8H12N2/c9-7-8-1-4-10(5-2-8)6-3-8/h1-6H2
InChI Key:
CEMKLAOKVLRABO-UHFFFAOYSA-N
SMILES:
N#CC12CCN(CC1)CC2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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