4-(TERT-BUTYL)CINNAMIC ACID

The 4-tert-Butylcinnamic acid, with the CAS registry number of 1208-65-7, is also known as p-tert-Butylcinnamic acid. It belongs to the product category of Aromatic Cinnamic Acids, Esters and Derivatives. This chemical's molecular formula is C₁₃H₁₆O₂ and molecular weight is 204.26. What's more, its systematic name is called (2E)-3-(4-tert-Butylphenyl)prop-2-enoic acid.

Physical properties about 4-tert-Butylcinnamic acid are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 23.74; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 124.93; (8)ACD/KOC (pH 7.4): 2.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 62.09 cm³; (15)Molar Volume: 191.7 cm³; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.065 g/cm³; (18)Flash Point: 222.5 °C; (19)Enthalpy of Vaporization: 59.06 kJ/mol; (20)Boiling Point: 318 °C at 760 mmHg; (21)Vapour Pressure: 0.000156 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)\C=C\c1ccc(cc1)C(C)(C)C
(2) InChI: InChI=1/C13H16O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3,(H,14,15)/b9-6+
(3) InChIKey: QFSPZKLJQZSLQU-RMKNXTFCBY