2-Propenoic acid,3-(2,3,4-trimethoxyphenyl)-, (2E)- (116406-19-0)

The cas register number of trans-3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid is 116406-19-0. It also can be called as 2-Propenoic acid,3-(2,3,4-trimethoxyphenyl)-, (2E)- and the Systematic name about this chemical is (2E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid.

Physical properties about trans-3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.15; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 53.99Ų; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 63.74 cm³; (13)Molar Volume: 197 cm³; (14)Polarizability: 25.26x10^-24cm³; (15)Surface Tension: 42.1 dyne/cm; (16)Flash Point: 149.6 °C; (17)Enthalpy of Vaporization: 67.7 kJ/mol; (18)Boiling Point: 392.2 °C at 760 mmHg; (19)Vapour Pressure: 7.43E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C\c1c(OC)c(OC)c(OC)cc1
(2)InChI: InChI=1/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5+
(3)InChIKey: ZYOPDNLIHHFGEC-FNORWQNLBJ
(4)Std. InChI: InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b7-5+
(5)Std. InChIKey: ZYOPDNLIHHFGEC-FNORWQNLSA-N