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Home Carboxys 6-nitro-2-oxo-1,2-dihydroquinoline-4-carboxylic acid

6-nitro-2-oxo-1,2-dihydroquinoline-4-carboxylic acid

CAS No.:
55764-56-2
Catalog Number:
AG01AHIR
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
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Product Description
Catalog Number:
AG01AHIR
Chemical Name:
6-nitro-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
CAS Number:
55764-56-2
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
MDL Number:
MFCD18483347
IUPAC Name:
6-nitro-2-oxo-1H-quinoline-4-carboxylic acid
InChI:
InChI=1S/C10H6N2O5/c13-9-4-7(10(14)15)6-3-5(12(16)17)1-2-8(6)11-9/h1-4H,(H,11,13)(H,14,15)
InChI Key:
YCUYSGICYXXUHR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(=O)[nH]c2c1cc(cc2)[N+](=O)[O-]
NSC Number:
68969
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.167g/mol
Monoisotopic Mass:
234.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents. Bioorganic & medicinal chemistry letters 20120715
Properties