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Home Carboxys tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate

tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate

CAS No.:
152533-47-6
Catalog Number:
AG00ALZR
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
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Product Description
Catalog Number:
AG00ALZR
Chemical Name:
tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
CAS Number:
152533-47-6
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
MDL Number:
MFCD18633018
IUPAC Name:
tert-butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
InChI:
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-8H,4-6H2,1-3H3
InChI Key:
XWIJVOQGKJHEAJ-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCC1C(=O)C2)OC(C)(C)C
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
The enantiomers of epiboxidine and of two related analogs: synthesis and estimation of their binding affinity at α4β2 and α7 neuronal nicotinic acetylcholine receptors. Chirality 20120701
Properties