The Benzeneacetic acid,3,4,5-trimethoxy-, ethyl ester, with the CAS registry number 66162-60-5, has the systematic name of ethyl (3,4,5-trimethoxyphenyl)acetate. It is a kind of organics. And the molecular formula of this chemical is C13H18O5.
The physical properties of Benzeneacetic acid,3,4,5-trimethoxy-, ethyl ester are as following: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 53.99 Å2; (7)Index of Refraction: 1.491; (8)Molar Refractivity: 66.87 cm3; (9)Molar Volume: 230.7 cm3; (10)Polarizability: 26.51×10-24cm3; (11)Surface Tension: 34.2 dyne/cm; (12)Density: 1.101 g/cm3; (13)Flash Point: 144.3 °C; (14)Enthalpy of Vaporization: 57.69 kJ/mol; (15)Boiling Point: 333.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000132 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1cc(OC)c(OC)c(OC)c1
(2)InChI: InChI=1/C13H18O5/c1-5-18-12(14)8-9-6-10(15-2)13(17-4)11(7-9)16-3/h6-7H,5,8H2,1-4H3
(3)InChIKey: PHSQGRIKRCUPMR-UHFFFAOYAT
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