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Home > Other Heterocycles > 88721-83-9
88721-83-9 | 1-Azabicyclo[3.2.1]octane-3-carbonitrile
CAS No: 88721-83-9 Catalog No: AG0046LO MDL No:
Product Description
Catalog Number:
AG0046LO
Chemical Name:
1-Azabicyclo[3.2.1]octane-3-carbonitrile
CAS Number:
88721-83-9
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
IUPAC Name:
1-azabicyclo[3.2.1]octane-3-carbonitrile
InChI:
InChI=1S/C8H12N2/c9-4-8-3-7-1-2-10(5-7)6-8/h7-8H,1-3,5-6H2
InChI Key:
CQLRBTFAUYWHBK-UHFFFAOYSA-N
SMILES:
N#CC1CC2CCN(C1)C2
Properties
Complexity:
179
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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