Home Carboxys tert-butyl 8,8-dimethyl-7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate

tert-butyl 8,8-dimethyl-7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate

CAS No.:
2044712-84-5
Catalog Number:
AG01B6FM
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
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Product Description
Catalog Number:
AG01B6FM
Chemical Name:
tert-butyl 8,8-dimethyl-7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate
CAS Number:
2044712-84-5
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
MDL Number:
MFCD30344910
IUPAC Name:
tert-butyl 8,8-dimethyl-7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate
InChI:
InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-8-6-7-9-10(15)14(4,5)11(9)16/h9-10H,6-8H2,1-5H3
InChI Key:
XWSDAVMHFAVCMI-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2C1C(C2=O)(C)C)OC(C)(C)C
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties