AG008OJD

769167-53-5 | (1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-one methanesulfonate

AG008OJD

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CAS Number	769167-53-5
Catalog Number	AG008OJD(AGN-PC-0OHWOH)
Chemical Name	(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-one methanesulfonate
IUPAC Name	methanesulfonic acid;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
InChI	InChI=1S/C5H7NO2.CH4O3S/c7-5-4-1-3(8-5)2-6-4;1-5(2,3)4/h3-4,6H,1-2H2;1H3,(H,2,3,4)/t3-,4-;/m0./s1
InChI Key	GEZDOTKDUXCCGP-MMALYQPHSA-N
MDL Number	MFCD16295182
Molecular Formula	C6H11NO5S
Molecular Weight	209.2202
SMILES	O=C1O[C@]2([H])CN[C@@]1([H])C2.CS(=O)(O)=O
Synonyms	(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one methanesulfonate, 769167-53-5, GEZDOTKDUXCCGP-MMALYQPHSA-N, AK-42226, C6H11NO5S, SCHEMBL2105249, CTK5E3574, DTXSID30582081, MFCD16295182, AKOS015924326, AKOS015995156, RP26498, DS-14053, AB0000223, AX8209569, ST2401522, W8358, S-1103, J-500482, (1S,4S)-2-oxa-5-aza-bicyclo[2.2.1]heptan-3-one methanesulfonate, (1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-onemethanesulfonate, (1S,4S)-3-Oxo-2-oxa-5-azonia-bicyclo[2.2.1]heptane methanesulfonate, Methanesulfonic acid--(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (1/1),

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	209.036g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.216g/mol
Monoisotopic Mass	209.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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