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Cas Database |
| Name |
Methyl (E)-3,4,5-trimethoxycinnamate |
EINECS | N/A |
| CAS No. | 20329-96-8 | Density | 1.134 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
91-92 °C |
| Formula | C13H16O5 | Boiling Point | 370.6 °C at 760 mmHg |
| Molecular Weight | 252.267 | Flash Point | 163.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 38 |
Methyl (E)-3,4,5-trimethoxycinnamate 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
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