HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86586355Generated: November 1, 2026
[(2S)-7-nitro-6-methoxy-2,3-dihydro-1,4-benzodioxin-2y]methyl 4-methylbenzenesulfonate
https://huagongshe.com/en/chemical/86586355
Identifiers & Physical Properties
| Molecular formula | C17H17NO8S |
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| Average molar mass | 395.4 g/mol |
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| Monoisotopic mass | 395.06748767 g/mol |
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| SMILES | COc1cc2c(cc1[N+](=O)[O-])O[C@H](COS(=O)(=O)c1ccc(C)cc1)CO2 |
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| InChIKey | UIYSDFPQXPMMOO-LBPRGKRZSA-N |
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| PubChem CID | 86586355 |
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Chemical & Physical Properties
| XLogP | 2.8 |
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| Topological polar surface area | 125 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 27 |
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| Formal charge | 0 |
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| Complexity | 607 |
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![[(2S)-7-nitro-6-methoxy-2,3-dihydro-1,4-benzodioxin-2y]methyl 4-methylbenzenesulfonate molecular structure](/img/chemical/86586355.png)