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6925-00-4

6925-00-4 | Quinoxaline-6-carboxylic acid

CAS No: 6925-00-4 Catalog No: AG003U3S MDL No:MFCD01365834

Product Description

Catalog Number:
AG003U3S
Chemical Name:
Quinoxaline-6-carboxylic acid
CAS Number:
6925-00-4
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD01365834
IUPAC Name:
quinoxaline-6-carboxylic acid
InChI:
InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13)
InChI Key:
JGQDBVXRYDEWGM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nccn2

Properties

Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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