AG0033LO

637301-19-0 | 3-Boc-8-oxo-3-azabicyclo[3.2.1]octane

AG0033LO

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CAS Number	637301-19-0
Catalog Number	AG0033LO(AGN-PC-0BSAKH)
Chemical Name	3-Boc-8-oxo-3-azabicyclo[3.2.1]octane
IUPAC Name	tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
InChI	InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-5-9(7-13)10(8)14/h8-9H,4-7H2,1-3H3
InChI Key	ZORCNALJSKPJDE-UHFFFAOYSA-N
MDL Number	MFCD21642031
Molecular Formula	C12H19NO3
Molecular Weight	225.2842
SMILES	O=C1C2CN(C(OC(C)(C)C)=O)CC1CC2
Synonyms	637301-19-0, 3-Boc-8-oxo-3-azabicyclo[3.2.1]octane, tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate, 3-Boc-3-azabicyclo[3.2.1]octan-8-one, AK-51102, AMOT0098, SCHEMBL9884519, CTK5B9747, DTXSID00722417, ZORCNALJSKPJDE-UHFFFAOYSA-N, ZX-RL004049, ANW-52633, MFCD21642031, AKOS015999841, FCH1631403, GS-4544, PB24454, KS-000006N1, TRA-0194884, AC-30567, OR301348, SY022398, 3-Boc-3-azabicyclo[3.2.1]octane-8-one, AX8216067, ST1241284, TC-141378, 4CH-010713, AM20100574, CS-0035611, FT-0745355, Z4981, Q-2899, MFCD21642031 (95+%), 8-Oxo-3-aza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester, C12H19NO3,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.136g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.288g/mol
Monoisotopic Mass	225.136g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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