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15544-54-4 | 2,5,8(1H)-Quinolinetrione, 7-hydroxy-
CAS No: 15544-54-4 Catalog No: AG001NXG MDL No:
Product Description
Catalog Number:
AG001NXG
Chemical Name:
2,5,8(1H)-Quinolinetrione, 7-hydroxy-
CAS Number:
15544-54-4
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
IUPAC Name:
5-hydroxy-1H-quinoline-2,7,8-trione
InChI:
InChI=1S/C9H5NO4/c11-5-3-6(12)9(14)8-4(5)1-2-7(13)10-8/h1-3,11H,(H,10,13)
InChI Key:
ILESTJVGWALRFD-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)c2c(C1=O)[nH]c(=O)cc2
NSC Number:
111216
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.142g/mol
Monoisotopic Mass:
191.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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