AG001003

1319716-42-1 | 2-Azaspiro[4.4]nonane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester

AG001003

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CAS Number	1319716-42-1
Catalog Number	AG001003(AGN-PC-0WCKFM)
Chemical Name	2-Azaspiro[4.4]nonane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester
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
MDL Number	MFCD23106459
Molecular Formula	C13H21NO3
Molecular Weight	239.3107
SMILES	C(=O)(OC(C)(C)C)N1CC2(CC1)CCC(=O)C2
Synonyms	1319716-42-1, tert-butyl 7-oxo-2-azaspiro[4.4]nonane-2-carboxylate, 2-Boc-7-oxo-2-azaspiro[4.4]nonane, SCHEMBL16835515, MFCD23106459, 2-Boc-2-azaspiro[4.4]nonane-7-one, FCH3050876, PB38863, SB10888, KS-0000045Z, AK170836, AS-33873, QC-11556, CS-0048133, tert-butyl 8-oxo-2-azaspiro[4.4]nonane-2-carboxylate, 7-Oxo-2-azaspiro[4.4]nonane-2-carboxylic acid tert-butyl ester, 2-Azaspiro[4.4]nonane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester, 1421313-98-5,

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

GHS Hazard and Precautionary Statements

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

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