Home Carboxys tert-Butyl 3-methyl-4-oxoazepane-1-carboxylate

tert-Butyl 3-methyl-4-oxoazepane-1-carboxylate

CAS No.:
1422424-71-2
Catalog Number:
AG00HWFJ
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$221
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Product Description
Catalog Number:
AG00HWFJ
Chemical Name:
tert-Butyl 3-methyl-4-oxoazepane-1-carboxylate
CAS Number:
1422424-71-2
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD27997498
IUPAC Name:
tert-butyl 3-methyl-4-oxoazepane-1-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-9-8-13(7-5-6-10(9)14)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
QRQPVZMYCPKCSY-UHFFFAOYSA-N
SMILES:
O=C1CCCN(CC1C)C(=O)OC(C)(C)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties