3-Pyridinecarboxylic acid,1,6-dihydro-4-hydroxy-6-oxo-2-(trifluoromethyl)-, ethyl ester


Chemical Name: 3-Pyridinecarboxylic acid,1,6-dihydro-4-hydroxy-6-oxo-2-(trifluoromethyl)-, ethyl ester
CAS Number: 103900-77-2
Product Number: AG008590(AGN-PC-0OSO5I)
Synonyms:
MDL No:
Molecular Formula: C9H8F3NO4
Molecular Weight: 251.1593

Identification/Properties


Computed Properties
Molecular Weight:
251.161g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
251.041g/mol
Monoisotopic Mass:
251.041g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
422
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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