Benzenepropanoic acid, b-oxo-4-(trifluoromethyl)-, methylester (212755-76-5)

The Methyl 4-(trifluoromethyl)benzoylacetate is an organic compound with the formula C₁₁H₉F₃O₃. The IUPAC name of this chemical is methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate. With the CAS registry number 212755-76-5, it is also named as 3-Oxo-3-(2-trifluoromethylphenyl)propionic acid. The product's category is Benzoic Acid. Besides, it is a yellow crystalline powder, which should be stored in a cool, dry place.

Physical properties about Methyl 4-(trifluoromethyl)benzoylacetate are: (1)ACD/LogP: 2.31 ; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 43.37 Å²; (5)Index of Refraction: 1.459; (6)Molar Refractivity: 52.3 cm³; (7)Molar Volume: 190.9 cm³; (8)Polarizability: 20.73×10^-24cm³; (9)Surface Tension: 31.9 dyne/cm; (10)Density: 1.289 g/cm³; (11)Flash Point: 114.5 °C; (12)Enthalpy of Vaporization: 50.99 kJ/mol; (13)Boiling Point: 271.6 °C at 760 mmHg; (14)Vapour Pressure: 0.00638 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C(=O)CC(=O)OC
(2)InChI: InChI=1/C11H9F3O3/c1-17-10(16)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5H,6H2,1H3
(3)InChIKey: CPAGQMQGVDEFOB-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H9F3O3/c1-17-10(16)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5H,6H2,1H3
(5)Std. InChIKey: CPAGQMQGVDEFOB-UHFFFAOYSA-N.