4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-


Chemical Name: 4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-
CAS Number: 117-57-7
Product Number: AG000DIJ(AGN-PC-0JL7K3)
Synonyms:
MDL No:
Molecular Formula: C11H9NO3
Molecular Weight: 203.1941

Identification/Properties


Properties
MP:
235 °C
BP:
370.2 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4950 (estimate)
Solubility:
0.04 g/L (20°C)
Computed Properties
Molecular Weight:
203.197g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
203.058g/mol
Monoisotopic Mass:
203.058g/mol
Topological Polar Surface Area:
70.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
256
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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