Home Carboxys tert-butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate

tert-butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate

CAS No.:
359779-73-0
Catalog Number:
AG01AK7Q
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
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Product Description
Catalog Number:
AG01AK7Q
Chemical Name:
tert-butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
CAS Number:
359779-73-0
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD19686564
IUPAC Name:
tert-butyl 5-acetyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-7(14)10-8-5-9(10)13(6-8)11(15)16-12(2,3)4/h8-10H,5-6H2,1-4H3
InChI Key:
PKNQPQCDXARDCY-UHFFFAOYSA-N
SMILES:
CC(=O)C1C2CC1N(C2)C(=O)OC(C)(C)C
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties