AG0001XT

1004-98-4 | 2,5-Diazabicyclo[2.2.2]octane-3,6-dione

AG0001XT

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CAS Number	1004-98-4
Catalog Number	AG0001XT(AGN-PC-00JSF5)
Chemical Name	2,5-Diazabicyclo[2.2.2]octane-3,6-dione
IUPAC Name	2,5-diazabicyclo[2.2.2]octane-3,6-dione
InChI	InChI=1S/C6H8N2O2/c9-5-3-1-2-4(8-5)6(10)7-3/h3-4H,1-2H2,(H,7,10)(H,8,9)
InChI Key	PPSCFPAFAMAAHE-UHFFFAOYSA-N
MDL Number	MFCD18086974
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C1NC2CCC1NC2=O
Synonyms	2,5-diazabicyclo[2.2.2]octane-3,6-dione, 1004-98-4, AC1Q6GTH, SCHEMBL4574517, DTXSID60511521, PPSCFPAFAMAAHE-UHFFFAOYSA-N, KS-00000E9I, 5346AJ, FCH951119, MFCD18086974, AKOS006348507, TRA0049134, CS-11518, SY023507, MFCD18086974 (95+%), A800217, C6H8N2O2,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number