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Home > Other Heterocycles > 21121-49-3
21121-49-3 | 3-oxo-2-azabicyclo[2.2.2]octane-1-carboxamide
CAS No: 21121-49-3 Catalog No: AG01A3YJ MDL No:MFCD20705021
Product Description
Catalog Number:
AG01A3YJ
Chemical Name:
3-oxo-2-azabicyclo[2.2.2]octane-1-carboxamide
CAS Number:
21121-49-3
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD20705021
IUPAC Name:
3-oxo-2-azabicyclo[2.2.2]octane-1-carboxamide
InChI:
InChI=1S/C8H12N2O2/c9-7(12)8-3-1-5(2-4-8)6(11)10-8/h5H,1-4H2,(H2,9,12)(H,10,11)
InChI Key:
ZJFZROAUBAUZLZ-UHFFFAOYSA-N
SMILES:
O=C1NC2(CCC1CC2)C(=O)N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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