AG0013GA

1375069-41-2 | 6-Quinoxalinecarboxylic acid, 3,4-dihydro-3-oxo-

AG0013GA

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CAS Number	1375069-41-2
Catalog Number	AG0013GA(AGN-PC-0WD0IN)
Chemical Name	6-Quinoxalinecarboxylic acid, 3,4-dihydro-3-oxo-
IUPAC Name	3-oxo-4H-quinoxaline-6-carboxylic acid
InChI	InChI=1S/C9H6N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-4H,(H,11,12)(H,13,14)
InChI Key	LGEUOBVKRJATPX-UHFFFAOYSA-N
MDL Number	MFCD17170910
Molecular Formula	C9H6N2O3
Molecular Weight	190.1555
SMILES	O=C(C1=CC2=C(N=CC(N2)=O)C=C1)O
Synonyms	3-oxo-3,4-dihydroquinoxaline-6-carboxylic acid, 1375069-41-2, 3,4-DIHYDRO-3-OXOQUINOXALINE-6-CARBOXYLIC ACID, DTXSID40744274, BBL024981, MFCD17170910, SC4304, STL286695, ZINC91693034, AKOS022061558, FCH1411493, MCULE-8561431452, 3-oxo-4H-quinoxaline-6-carboxylic acid, AK-77971, AB0088318, AJ-131942, H7018, ST24042398, X-2977,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.158g/mol
Monoisotopic Mass	190.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^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-P305+P351+P338
UN Code

Certificate of Analysis

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