AG0034F2

280761-97-9 | 9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one

AG0034F2

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CAS Number	280761-97-9
Catalog Number	AG0034F2(AGN-PC-01X63X)
Chemical Name	9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one
IUPAC Name	tert-butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
InChI	InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-8-4-10(14)5-9(13)7-16-6-8/h8-9H,4-7H2,1-3H3
InChI Key	CQLVVTNYEYTHMM-UHFFFAOYSA-N
MDL Number	MFCD17016705
Molecular Formula	C12H19NO4
Molecular Weight	241.2836
SMILES	C(=O)(OC(C)(C)C)N1C2CC(CC1COC2)=O
Synonyms	9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one, 280761-97-9, tert-butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate, SCHEMBL29183, CQLVVTNYEYTHMM-UHFFFAOYSA-N, KS-000007BE, AKOS015902380, PB17960, TRA0033723, AM803629, AS-32596, SY015285, AB0063804, DB-024290, TC-308048, CS-0036705, FT-0713572, V4892, MFCD17016705 (97+%), I14-20176, 7-oxo-3-oxa-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester, C12H19NO4, 9-BOC-3-OXA-9-AZABICYCLO[3.3.1]NONAN-7-ONE, 122-67-8,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.131g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.287g/mol
Monoisotopic Mass	241.131g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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

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