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Home > Other Heterocycles > 885517-04-4
885517-04-4 | 1-Azabicyclo[2.2.2]octane-2-carbonitrile, (2S)-
CAS No: 885517-04-4 Catalog No: AG00IKSN MDL No:MFCD18374364
Product Description
Catalog Number:
AG00IKSN
Chemical Name:
1-Azabicyclo[2.2.2]octane-2-carbonitrile, (2S)-
CAS Number:
885517-04-4
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD18374364
IUPAC Name:
(2S)-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-/m0/s1
InChI Key:
NZOYWQFJJHBAAF-QMMMGPOBSA-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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