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1363381-22-9 | 2-Azaspiro[3.5]nonane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester
CAS No: 1363381-22-9 Catalog No: AG0011OT MDL No:MFCD22566155
Product Description
Catalog Number:
AG0011OT
Chemical Name:
2-Azaspiro[3.5]nonane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester
CAS Number:
1363381-22-9
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD22566155
IUPAC Name:
tert-butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-13(9-14)6-4-10(15)5-7-13/h4-9H2,1-3H3
InChI Key:
KHCPHQZPEYFYRA-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CCC(=O)CC2)OC(C)(C)C
Properties
Complexity:
325
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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