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Home Carboxys 4-tert-Butyl 7-ethyl 6-oxo-1,4-oxazepane-4,7-dicarboxylate

4-tert-Butyl 7-ethyl 6-oxo-1,4-oxazepane-4,7-dicarboxylate

CAS No.:
1422343-95-0
Catalog Number:
AG00HWEF
Molecular Formula:
C13H21NO6
Molecular Weight:
287.3089
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
- +
250mg
95%
In Stock USA
United States
$441
- +
1g
95%
In Stock USA
United States
$882
- +
Product Description
Catalog Number:
AG00HWEF
Chemical Name:
4-tert-Butyl 7-ethyl 6-oxo-1,4-oxazepane-4,7-dicarboxylate
CAS Number:
1422343-95-0
Molecular Formula:
C13H21NO6
Molecular Weight:
287.3089
MDL Number:
MFCD28291975
IUPAC Name:
4-O-tert-butyl 7-O-ethyl 6-oxo-1,4-oxazepane-4,7-dicarboxylate
InChI:
InChI=1S/C13H21NO6/c1-5-18-11(16)10-9(15)8-14(6-7-19-10)12(17)20-13(2,3)4/h10H,5-8H2,1-4H3
InChI Key:
KPLRWEADFOJTOD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(O)CN(CCO1)C(=O)OC(C)(C)C
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.137g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.312g/mol
Monoisotopic Mass:
287.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties