Home Carboxys Ethyl 1-benzyl-5-oxoazepane-4-carboxylate

Ethyl 1-benzyl-5-oxoazepane-4-carboxylate

CAS No.:
19673-12-2
Catalog Number:
AG003Q0G
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>95%
In Stock USA
United States
$644
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Product Description
Catalog Number:
AG003Q0G
Chemical Name:
Ethyl 1-benzyl-5-oxoazepane-4-carboxylate
CAS Number:
19673-12-2
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD11045474
IUPAC Name:
ethyl 1-benzyl-5-oxoazepane-4-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-2-20-16(19)14-8-10-17(11-9-15(14)18)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChI Key:
YYCFGTMTPVIMLW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CCC1=O)Cc1ccccc1
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties