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20329-96-8

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Basic Information
CAS No.: 20329-96-8
Name: METHYL 3,4,5-TRIMETHOXYCINNAMATE
Article Data: 38
Molecular Structure:
Molecular Structure of 20329-96-8 (METHYL 3,4,5-TRIMETHOXYCINNAMATE)
Formula: C13H16O5
Molecular Weight: 252.267
Synonyms: 2-Propenoicacid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (E)-;Cinnamic acid,3,4,5-trimethoxy-, methyl ester, (E)- (8CI);Methyl 3,4,5-trimethoxy-trans-cinnamate;Methyltrans-3,4,5-trimethoxycinnamate;Methyltrans-3-(3,4,5-trimethoxyphenyl)acrylate;
Density: 1.134 g/cm3
Melting Point: 91-92 °C
Boiling Point: 370.6 °C at 760 mmHg
Flash Point: 163.5 °C
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Specification

The CAS register number of 2-Propenoic acid,3-(3,4,5-trimethoxyphenyl)-, methyl ester, (2E)- is 20329-96-8. It also can be called as (E)-methyl 3-(3,4,5-trimethoxyphenyl)acrylate and the systematic name about this chemical is methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate. The molecular formula about this chemical is C13H16O5 and the molecular weight is 252.26. It belongs to the following product categories which include Esters; Phenyls & Phenyl-Het and so on.

Physical properties about 2-Propenoic acid,3-(3,4,5-trimethoxyphenyl)-, methyl ester, (2E)- are: (1)ACD/LogP: 1.77; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 53.99Å2; (5)Index of Refraction: 1.528; (6)Molar Refractivity: 68.58 cm3; (7)Molar Volume: 222.4 cm3; (8)Polarizability: 27.18x10-24cm3; (9)Surface Tension: 35.9 dyne/cm; (10)Flash Point: 163.5 °C; (11)Enthalpy of Vaporization: 61.76 kJ/mol; (12)Boiling Point: 370.6 °C at 760 mmHg; (13)Vapour Pressure: 1.09E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C=C\c1cc(OC)c(OC)c(OC)c1
(2)InChI: InChI=1/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+
(3)InChIKey: KLXHCGFNNUQTEY-AATRIKPKBY
(4)Std. InChI: InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+
(5)Std. InChIKey: KLXHCGFNNUQTEY-AATRIKPKSA-N