Home Carboxys ethyl 1-benzyl-5-oxoazocane-4-carboxylate

ethyl 1-benzyl-5-oxoazocane-4-carboxylate

CAS No.:
85365-60-2
Catalog Number:
AG01C25K
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
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Product Description
Catalog Number:
AG01C25K
Chemical Name:
ethyl 1-benzyl-5-oxoazocane-4-carboxylate
CAS Number:
85365-60-2
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
MDL Number:
MFCD29054919
IUPAC Name:
ethyl 1-benzyl-5-oxoazocane-4-carboxylate
InChI:
InChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(11-6-9-16(15)19)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChI Key:
GLLKNHGGZDESFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CCCC1=O)Cc1ccccc1
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties