Formula |
C16H14O6 |
IUPAC Name |
[(4r)-4-acetoxy-5-oxo-4h-oxepin-3-yl]methyl benzoate |
Molecular Mass |
302.279 g·mol−1 |
Heat of Formation |
-780.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.82 ± 1.08 D |
Volume |
339.93 Å 3 |
Surface Area |
285.72 Å 2 |
HOMO Energy |
-9.71 ± 0.55 eV |
LUMO Energy |
-0.47 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- [(4r)-4-acetoxy-5-oxo-4h-oxepin-3-yl]methyl benzoate
- [(4r)-4-acetyloxy-5-oxo-4h-oxepin-3-yl]methyl benzoate
- benzoic acid [(4r)-4-acetoxy-5-keto-4h-oxepin-3-yl]methyl ester
- benzoic acid [(4r)-4-acetoxy-5-oxo-4h-oxepin-3-yl]methyl ester
- grandiuvarone a
|
InChIKey |
WSNISKVPPPGLFK-OAHLLOKOSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
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