Home Carboxys tert-Butyl 7-oxo-2-azaspiro[4.4]nonane-2-carboxylate

tert-Butyl 7-oxo-2-azaspiro[4.4]nonane-2-carboxylate

CAS No.:
1319716-42-1
Catalog Number:
AG001003
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG001003
Chemical Name:
tert-Butyl 7-oxo-2-azaspiro[4.4]nonane-2-carboxylate
CAS Number:
1319716-42-1
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD23106459
IUPAC Name:
tert-butyl 8-oxo-2-azaspiro[4.4]nonane-2-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-7-6-13(9-14)5-4-10(15)8-13/h4-9H2,1-3H3
InChI Key:
KVDDOJNQXATXQE-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties