Home Carboxys tert-butyl 5-methyl-6-oxo-1,4-oxazepane-4-carboxylate

tert-butyl 5-methyl-6-oxo-1,4-oxazepane-4-carboxylate

CAS No.:
1824026-76-7
Catalog Number:
AG01DKE7
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
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Product Description
Catalog Number:
AG01DKE7
Chemical Name:
tert-butyl 5-methyl-6-oxo-1,4-oxazepane-4-carboxylate
CAS Number:
1824026-76-7
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD28119026
IUPAC Name:
tert-butyl 5-methyl-6-oxo-1,4-oxazepane-4-carboxylate
InChI:
InChI=1S/C11H19NO4/c1-8-9(13)7-15-6-5-12(8)10(14)16-11(2,3)4/h8H,5-7H2,1-4H3
InChI Key:
SKZKAWFIPIMDPA-UHFFFAOYSA-N
SMILES:
CC1C(=O)COCCN1C(=O)OC(C)(C)C
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties