Elemicin | |
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Molecular structure via molpic based on CDK |
Conformer [] | |
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Conformer structure via JSmol |
Physical properties [] | |
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Molecular mass | 208.25 g/mol [1] |
Density | 1.058-1.070 g/cm3 [1] |
Boiling point | 152.00 to 156.00 °C. @ 17.00 mm Hg [1] |
Solubility | Practically insoluble to insoluble in water [1] |
Predicted LogP | 2.5 [1] |
Structural Identifiers [] | |
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Molecular formula | C12H16O3 [1] |
IUPAC name | 1,2,3-trimethoxy-5-prop-2-enylbenzene [1] |
SMILES | COC1=CC(=CC(=C1OC)OC)CC=C [1] |
InChI | InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 [1] |
InChIKey | BPLQKQKXWHCZSS-UHFFFAOYSA-N [1] |
Elemicin
Elemicin (also known as 5-Allyl-1,2,3-trimethoxybenzene, 3,4,5-Trimethoxyallylbenzene, Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-, 1,2,3-Trimethoxy-5-(2-propenyl)benzene, CCRIS 6783, Benzene, 5-allyl-1,2,3-trimethoxy-, 4-allyl-1,2,6-trimethoxybenzene, 3,4,5-trimethoxyallyl benzene, AI3-20815 or 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene)
Chemistry
Stereochemistry []
Elemicin is a achiral mixture