AG003JUK

1126795-00-3 | 3-Oxa-9-azabicyclo[3.3.1]nonan-7-one hydrochloride

AG003JUK

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CAS Number	1126795-00-3
Catalog Number	AG003JUK(AGN-PC-0NUVSM)
Chemical Name	3-Oxa-9-azabicyclo[3.3.1]nonan-7-one hydrochloride
IUPAC Name	3-oxa-9-azabicyclo[3.3.1]nonan-7-one;hydrochloride
InChI	InChI=1S/C7H11NO2.ClH/c9-7-1-5-3-10-4-6(2-7)8-5;/h5-6,8H,1-4H2;1H
InChI Key	WEAFOEKQEGQXCG-UHFFFAOYSA-N
MDL Number	MFCD20491410
Molecular Formula	C7H12ClNO2
Molecular Weight	177.6287
SMILES	Cl.O=C1CC2NC(C1)COC2
Synonyms	3-Oxa-9-azabicyclo[3.3.1]nonan-7-one hydrochloride, 1126795-00-3, 3-Oxa-9-azabicyclo[3.3.1]nonan-7-one HCl, SCHEMBL16237481, DTXSID50856514, WEAFOEKQEGQXCG-UHFFFAOYSA-N, 5920AJ, MFCD20491410, AKOS016846041, CS-W001299, PB16886, TRA0057765, KS-0000075N, AK-85923, AS-32147, SY016722, AB0063802, AX8257275, DB-021683, TC-307467, FT-0735020, Q-2376, MFCD20491410 (95+%), 3-oxa-9-aza-bicyclo[3.3.1]nonan-7-one hydrochloride, 3-Oxa-9-azabicyclo[3.3.1]nonan-7-one--hydrogen chloride (1/1), C7H11NO2.HCl, 190661-29-1,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.056g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	177.628g/mol
Monoisotopic Mass	177.056g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	2
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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