HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11323629Generated: October 30, 2026
5H-4,1-Benzoxathiepin-5-one, 2,3-dihydro-3-(phenoxymethyl)-
https://huagongshe.com/en/chemical/11323629
Identifiers & Physical Properties
| CAS No. | 821768-60-9 |
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| Molecular formula | C16H14O3S |
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| Average molar mass | 286.3 g/mol |
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| Monoisotopic mass | 286.06636548 g/mol |
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| SMILES | O=C1OC(COc2ccccc2)CSc2ccccc21 |
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| InChIKey | JQHFSCZJCXPWIR-UHFFFAOYSA-N |
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| PubChem CID | 11323629 |
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| DTXSID | DTXSID50462412 |
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Chemical & Physical Properties
| XLogP | 3.8 |
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| Topological polar surface area | 60.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 328 |
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