AG000N56

1250994-14-9 | 8-Azaspiro[4.5]decane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester

AG000N56

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CAS Number	1250994-14-9
Catalog Number	AG000N56(AGN-PC-0WBRLI)
Chemical Name	8-Azaspiro[4.5]decane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-oxo-8-azaspiro[4.5]decane-8-carboxylate
InChI	InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)5-4-11(16)10-14/h4-10H2,1-3H3
InChI Key	ZXXJXEXKMUZKPG-UHFFFAOYSA-N
MDL Number	MFCD18792443
Molecular Formula	C14H23NO3
Molecular Weight	253.3373
SMILES	O=C(N(CC1)CCC21CCC(C2)=O)OC(C)(C)C
Synonyms	1250994-14-9, tert-butyl 2-oxo-8-azaspiro[4.5]decane-8-carboxylate, 2-Oxo-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester, tert-butyl 3-oxo-8-azaspiro[4.5]decane-8-carboxylate, SCHEMBL14297530, MFCD18792443, ZINC95740480, 8-Boc-8-azaspiro[4.5]decan-2-one, AKOS025290945, FCH2768232, SB11472, KS-000004E7, AK170957, AS-51342, CS-0037089, 8-Azaspiro[4.5]decane-8-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester, 1-Boc-2-oxo-8-azaspiro-[4.5]decane-8-carboxylic acid,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.168g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.342g/mol
Monoisotopic Mass	253.168g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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