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74003-63-7

74003-63-7 | 3-Methylquinoxaline-2-carboxylic acid

CAS No: 74003-63-7 Catalog No: AG003JRX MDL No:MFCD03840415

Product Description

Catalog Number:
AG003JRX
Chemical Name:
3-Methylquinoxaline-2-carboxylic acid
CAS Number:
74003-63-7
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD03840415
IUPAC Name:
3-methylquinoxaline-2-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)
InChI Key:
BJPNADFNSANIPF-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2ccccc2nc1C

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Cytotoxicity and genotoxicity of 1,4-bisdesoxyquinocetone, 3-methylquinoxaline-2-carboxylic acid (MQCA) in human hepatocytes. Research in veterinary science 20121201
[Determination of 3-methyl-quinoxaline-2-carboxylic acid in animal and aquatic products by ultra performance liquid chromatography-tandem mass spectrometry]. Se pu = Chinese journal of chromatography 20120101
Synthesis of new quinoxaline-2-carboxylate 1,4-dioxide derivatives as anti-Mycobacterium tuberculosis agents. Journal of medicinal chemistry 20050324
Development of liquid chromatographic methods for determination of quinocetone and its main metabolites in edible tissues of swine and chicken. Journal of AOAC International 20050101

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