AG009BCS

13297-17-1 | 2-Acetyl-3-methylquinoxalinediium-1,4-diolate

AG009BCS

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CAS Number	13297-17-1
Catalog Number	AG009BCS(AGN-PC-0O12WO)
Chemical Name	2-Acetyl-3-methylquinoxalinediium-1,4-diolate
IUPAC Name	1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
InChI	InChI=1S/C11H10N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6H,1-2H3
InChI Key	CUJMCPPBTUATEJ-UHFFFAOYSA-N
MDL Number	MFCD00113235
Molecular Formula	C11H10N2O3
Molecular Weight	218.2087
NSC Number	720472
SMILES	CC1=C(C(C)=O)[N+]([O-])=C2C=CC=CC2=[N+]1[O-]
Synonyms	13297-17-1, 2-Acetyl-3-methylquinoxaline 1,4-dioxide, 2-Methyl-3-acetyl-quinoxaline 1,4-dioxide, 2-acetyl-3-methylquinoxalinediium-1,4-diolate, 2-Acetyl-3-methylquinoxaline-1,4-dioxide, 2-acetyl-3-methyl-1,4-quinoxalinediiumdiolate, Ethanone,1-(3-methyl-1,4-dioxido-2-quinoxalinyl)-, 2-acetyl-3-methylquinoxaline-1,4-diium-1,4-bis(olate), NSC720472, AC1Q5B5K, Cambridge id 5324085, MLS000105964, AC1L8N09, CHEMBL475335, SCHEMBL10573865, CTK4B8271, KS-00001WHR, DTXSID50328049, CUJMCPPBTUATEJ-UHFFFAOYSA-N, HMS2396O06, ZINC1663187, ZX-AT025959, ANW-73495, MFCD00113235, STK368264, AKOS000632000, NSC-720472, OR25639, SDCCGMLS-0023179.P002, NCGC00079270-02, CJ-26859, SMR000102938, 2-methyl-3-acetylquinoxaline 1,4-dioxide, 2-acetyl-1,4-dihydroxy-3-methylquinoxaline, 2-acetyl-3-methyl-quinoxaline-1,4-dioxide, AX8069439, DB-015311, TC-162240, FT-0610953, ST50996821, 4J-029, AB00080754-01, AB00080754-13, 1-(3-Methyl-1,4-dioxido-2-quinoxalinyl)ethanone, 1-(3-methyl-1,4-dioxidoquinoxalin-2-yl)ethanone, SR-01000397584, 1-(3-Methyl-1,4-dioxy-quinoxalin-2-yl)-ethanone, SR-01000397584-1, Ethanone, 1-(3-methyl-1,4-dioxido-2-quinoxalinyl)-, I14-35024, 2-Acetyl-3-methyl-1-oxoquinoxalin-1-ium-4(1H)-olate, 3-acetyl-2-methylquinoxaline-1,4-diium-1,4-bis(olate), 1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone, 1-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethanone, InChI=1/C11H10N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6H,1-2H, Mequindox, C11H10N2O3, AR-1E3562, CID404291, 133229-23-9, 16915-79-0,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.212g/mol
Monoisotopic Mass	218.069g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number