4-(Octyloxy)cinnamic acid (55379-97-0)

The 4-(Octyloxy)cinnamic acid with the cas registry number of 55379-97-0 belongs to the product categories of Aromatic Cinnamic Acids, Esters and Derivatives. This chemical's molecular formula is C₁₇H₂₄O₃ and formula weight is 276.37. It is also known as 3-[4-(Octyloxy)phenyl]-2-propenoic acid and (E)-3-[4-(Octyloxy)phenyl]-2-propenoic acid. What's more, its systematic name is called (2E)-3-[4-(Octyloxy)phenyl]prop-2-enoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.61; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 839.85; (6)ACD/BCF (pH 7.4): 15.24; (7)ACD/KOC (pH 5.5): 1654.01; (8)ACD/KOC (pH 7.4): 30.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 82.81 cm³; (15)Molar Volume: 264.5 cm³; (16)Surface Tension: 40.4 dyne/cm; (17)Density: 1.044 g/cm³; (18)Flash Point: 150 °C; (19)Melting Point: 167-168 °C; (20)Enthalpy of Vaporization: 71.85 kJ/mol; (21)Boiling Point: 426.7 °C at 760 mmHg; (22)Vapour Pressure: 4.83E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C\c1ccc(OCCCCCCCC)cc1;
(2)InChI: InChI=1/C17H24O3/c1-2-3-4-5-6-7-14-20-16-11-8-15(9-12-16)10-13-17(18)19/h8-13H,2-7,14H2,1H3,(H,18,19)/b13-10+;
(3)InChIKey: KAMZUSZBMGHSEB-JLHYYAGUBM;
(4)Std. InChI: InChI=1S/C17H24O3/c1-2-3-4-5-6-7-14-20-16-11-8-15(9-12-16)10-13-17(18)19/h8-13H,2-7,14H2,1H3,(H,18,19)/b13-10+;
(5)Std. InChIKey: KAMZUSZBMGHSEB-JLHYYAGUSA-N.