Propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester


Chemical Name: Propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester
CAS Number: 13089-11-7
Product Number: AG000V2G(AGN-PC-0KK6TJ)
Synonyms:
MDL No: MFCD00114936
Molecular Formula: C4H3F3O3
Molecular Weight: 156.0600

Identification/Properties


Properties
MP:
84-86 °C
BP:
85°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Liquid
Refractive Index:
n20/D 1.332(lit.)
Computed Properties
Molecular Weight:
156.06g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
156.003g/mol
Monoisotopic Mass:
156.003g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
160
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:
Danger
UN#:
1993
Hazard Statements:
H225
Precautionary Statements:
P210
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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