Formula |
C18H18O4 |
IUPAC Name |
methyl 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-oxo-cyclohex-3-en-1-yl]acetate |
Molecular Mass |
298.333 g·mol−1 |
Heat of Formation |
-508.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.99 ± 1.08 D |
Volume |
359.67 Å 3 |
Surface Area |
302.59 Å 2 |
HOMO Energy |
-9.23 ± 0.55 eV |
LUMO Energy |
-0.91 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-keto-1-cyclohex-3-enyl]acetic acid methyl ester
- 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenylprop-2-enylidene]-5-oxo-1-cyclohex-3-enyl]acetic acid methyl ester
- methyl 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-oxo-1-cyclohex-3-enyl]acetate
- methyl 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-oxo-1-cyclohex-3-enyl]ethanoate
- methyl 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenylprop-2-enylidene]-5-oxo-1-cyclohex-3-enyl]acetate
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InChIKey |
HAXYQNFQUDHACW-LVJWOEPNSA-N |
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Links |
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Elements |
H
C
O
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