3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester


Chemical Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS Number: 52980-28-6
Product Number: AG00DB3V(AGN-PC-0JNAHW)
Synonyms:
MDL No:
Molecular Formula: C12H11NO3
Molecular Weight: 217.22064

Identification/Properties


Properties
MP:
270°
BP:
343.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
217.224g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
217.074g/mol
Monoisotopic Mass:
217.074g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
335
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


NMR Spectrum


Other Analytical Data


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