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

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

CAS No.:
1909335-88-1
Catalog Number:
AG01B1W5
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
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Product Description
Catalog Number:
AG01B1W5
Chemical Name:
benzyl 8,8-dimethyl-7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate
CAS Number:
1909335-88-1
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
MDL Number:
MFCD29907205
IUPAC Name:
benzyl 8,8-dimethyl-7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate
InChI:
InChI=1S/C17H21NO3/c1-17(2)14-13(15(17)19)9-6-10-18(14)16(20)21-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3
InChI Key:
LGGQTDSTIKJAFO-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2C1C(C2=O)(C)C)OCc1ccccc1
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties