3-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-, ethyl ester


Chemical Name: 3-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-, ethyl ester
CAS Number: 27568-04-3
Product Number: AG002U3O(AGN-PC-0O8IMK)
Synonyms:
MDL No: MFCD00173382
Molecular Formula: C13H13NO4
Molecular Weight: 247.2466

Identification/Properties


Computed Properties
Molecular Weight:
247.25g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
247.084g/mol
Monoisotopic Mass:
247.084g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
377
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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