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Home > Other Heterocycles > 885517-05-5
885517-05-5 | 1-Azabicyclo[2.2.2]octane-2-carbonitrile, (2R)-
CAS No: 885517-05-5 Catalog No: AG00GTXM MDL No:MFCD13178715
Product Description
Catalog Number:
AG00GTXM
Chemical Name:
1-Azabicyclo[2.2.2]octane-2-carbonitrile, (2R)-
CAS Number:
885517-05-5
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD13178715
IUPAC Name:
(2R)-1-azabicyclo[2.2.2]octane-2-carbonitrile
InChI:
InChI=1S/C8H12N2/c9-6-8-5-7-1-3-10(8)4-2-7/h7-8H,1-5H2/t8-/m1/s1
InChI Key:
NZOYWQFJJHBAAF-MRVPVSSYSA-N
SMILES:
N#C[C@H]1CC2CCN1CC2
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
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