Home Carboxys benzyl 7-oxoazepane-2-carboxylate

benzyl 7-oxoazepane-2-carboxylate

CAS No.:
1803571-51-8
Catalog Number:
AG01BDE2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG01BDE2
Chemical Name:
benzyl 7-oxoazepane-2-carboxylate
CAS Number:
1803571-51-8
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD28118243
IUPAC Name:
benzyl 7-oxoazepane-2-carboxylate
InChI:
InChI=1S/C14H17NO3/c16-13-9-5-4-8-12(15-13)14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChI Key:
BGMLBAAZDMGRCO-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(N1)C(=O)OCc1ccccc1
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties