AG00G888

778646-92-7 | tert-Butyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate

AG00G888

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CAS Number	778646-92-7
Catalog Number	AG00G888(AGN-PC-0WBRLK)
Chemical Name	tert-Butyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
IUPAC Name	tert-butyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
InChI	InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-5-10(15)9-13(14)6-4-7-13/h4-9H2,1-3H3
InChI Key	ASCBSGNUAQKGNU-UHFFFAOYSA-N
MDL Number	MFCD09336375
Molecular Formula	C13H21NO3
Molecular Weight	239.3107
SMILES	O=C(N(CCC(C1)=O)C21CCC2)OC(C)(C)C
Synonyms	tert-butyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate, 778646-92-7, 5-Boc-8-oxo-5-azaspiro[3.5]nonane, 8-OXO-5-AZA-SPIRO[3.5]NONANE-5-CARBOXYLIC ACID TERT-BUTYL ESTER, AC1Q1MYL, SCHEMBL4485043, CTK7H4206, ASCBSGNUAQKGNU-UHFFFAOYSA-N, ZINC8728698, 4642AJ, MFCD09336375, N-Boc-5-azaspiro[3.5]nonan-8-one, AKOS009108657, 5-Boc-5-azaspiro[3.5]nonane-8-one, MCULE-8196400007, PB20361, DA-41374, BB 0261996, CS-0054785, FT-0717581, EN300-26947, Q-3974, tert-butyl 6-oxo-9-azaspiro[3.5]nonane-9-carboxylate, Z228589848, C13H21NO3,

Complexity	339
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	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number