Home Carboxys ethyl 3-benzyl-8-oxo-3-azabicyclo[3.2.1]octane-1-carboxylate

ethyl 3-benzyl-8-oxo-3-azabicyclo[3.2.1]octane-1-carboxylate

CAS No.:
815610-35-6
Catalog Number:
AG019X1V
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
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Product Description
Catalog Number:
AG019X1V
Chemical Name:
ethyl 3-benzyl-8-oxo-3-azabicyclo[3.2.1]octane-1-carboxylate
CAS Number:
815610-35-6
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
MDL Number:
MFCD19442660
IUPAC Name:
ethyl 3-benzyl-8-oxo-3-azabicyclo[3.2.1]octane-1-carboxylate
InChI:
InChI=1S/C17H21NO3/c1-2-21-16(20)17-9-8-14(15(17)19)11-18(12-17)10-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChI Key:
ULMIQDSAACVGII-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CCC(C2=O)CN(C1)Cc1ccccc1
Properties
Complexity:
416  
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:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties