Butanoic acid, 4,4,4-trifluoro-3-oxo-, methyl ester


Chemical Name: Butanoic acid, 4,4,4-trifluoro-3-oxo-, methyl ester
CAS Number: 83643-84-9
Product Number: AG003RU2(AGN-PC-0JSQJ0)
Synonyms:
MDL No:
Molecular Formula: C5H5F3O3
Molecular Weight: 170.0866

Identification/Properties


Properties
MP:
19℃
BP:
118°C
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.372
Computed Properties
Molecular Weight:
170.087g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
170.019g/mol
Monoisotopic Mass:
170.019g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
172
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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