3-(TRIFLUOROMETHOXY)CINNAMIC ACID

The 2-Propenoic acid,3-[3-(trifluoromethoxy)phenyl]-, with CAS registry number 168833-80-5, belongs to the following product categories: (1)Aromatic Cinnamic Acids, Esters and Derivatives; (2)Cinnamic acid; (3)C10; (4)Carbonyl Compounds; (5)Carboxylic Acids. It has the systematic name of (2E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoic acid. This chemical is a kind of off-white crystalline powder. And the chemical formula of this chemical is C₁₀H₇F₃O₃.

Physical properties of 2-Propenoic acid,3-[3-(trifluoromethoxy)phenyl]-: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/BCF (pH 5.5): 3.63; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.76; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 50.84 cm³; (14)Molar Volume: 165.4 cm³; (15)Polarizability: 20.15×10^-24cm³; (16)Surface Tension: 38.5 dyne/cm; (17)Density: 1.403 g/cm³; (18)Flash Point: 126.5 °C; (19)Enthalpy of Vaporization: 55.41 kJ/mol; (20)Boiling Point: 285.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0013 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Propenoic acid,3-[3-(trifluoromethoxy)phenyl]- irritates to eyes, respiratory system and skin. And this chemical is toxic if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1cc(ccc1)\C=C\C(=O)O
(2)InChI: InChI=1/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
(3)InChIKey: CLKZZEYGXRWYNI-SNAWJCMRBH
(4)Std. InChI: InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
(5)Std. InChIKey: CLKZZEYGXRWYNI-SNAWJCMRSA-N