| Formula |
C16H14O6 |
| IUPAC Name |
[(2r)-4-acetoxy-7-oxo-2h-oxepin-2-yl]methyl benzoate |
| Molecular Mass |
302.279 g·mol−1 |
| Heat of Formation |
-789.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.54 ± 1.08 D |
| Volume |
338.01 Å 3 |
| Surface Area |
303.69 Å 2 |
| HOMO Energy |
-9.95 ± 0.55 eV |
| LUMO Energy |
-0.91 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2(7h)-oxepinone, 5-(acetyloxy)-7-[(benzoyloxy)methyl]-
- 5-acetoxy-7-benzoyloxymethyl-7h-oxepin-2-one
- [(2r)-4-acetoxy-7-oxo-2h-oxepin-2-yl]methyl benzoate
- [(2r)-4-acetyloxy-7-oxo-2h-oxepin-2-yl]methyl benzoate
- [4-(acetyloxy)-7-oxo-2,7-dihydrooxepin-2-yl]methyl benzoate
- benzoic acid 4-acetoxy-7-oxo-2,7-dihydro-oxepin-2-ylmethyl ester
- benzoic acid [(2r)-4-acetoxy-7-keto-2h-oxepin-2-yl]methyl ester
- benzoic acid [(2r)-4-acetoxy-7-oxo-2h-oxepin-2-yl]methyl ester
|
| InChIKey |
YQQVJWLMJNRFKQ-CQSZACIVSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
|
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