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Home Other Building Blocks Tert-Butyl 4-Methyl-3,5-Dioxo-2-Azabicyclo[2.2.2]Octane-2-Carboxylate

Tert-Butyl 4-Methyl-3,5-Dioxo-2-Azabicyclo[2.2.2]Octane-2-Carboxylate

CAS No.:
2007920-45-6
Catalog Number:
AG01EFNT
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$315
- +
1g
95%
In Stock USA
United States
$630
- +
5g
95%
In Stock USA
United States
$1890
- +
Product Description
Catalog Number:
AG01EFNT
Chemical Name:
Tert-Butyl 4-Methyl-3,5-Dioxo-2-Azabicyclo[2.2.2]Octane-2-Carboxylate
CAS Number:
2007920-45-6
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
MDL Number:
MFCD30472021
IUPAC Name:
tert-butyl 4-methyl-3,5-dioxo-2-azabicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C13H19NO4/c1-12(2,3)18-11(17)14-8-5-6-13(4,10(14)16)9(15)7-8/h8H,5-7H2,1-4H3
InChI Key:
PBGRPEXKXVOSTC-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCC(C1=O)(C(=O)C2)C)OC(C)(C)C
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties