HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57586471Generated: October 31, 2026
4-{3-[6-(3-Benzo[1,3]dioxol-5-yl-5-nitro-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy}-butyric acid ethyl ester
https://huagongshe.com/en/chemical/57586471
Identifiers & Physical Properties
| Molecular formula | C36H43NO10 |
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| Average molar mass | 649.7 g/mol |
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| SMILES | CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc([N+](=O)[O-])c2)c1CCC(=O)OCC |
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| InChIKey | ZQUWALMSRPZCEI-UHFFFAOYSA-N |
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| PubChem CID | 57586471 |
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Chemical & Physical Properties
| XLogP | 7.9 |
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| Topological polar surface area | 135 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 21 |
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| Heavy atoms | 47 |
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| Formal charge | 0 |
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| Complexity | 943 |
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![4-{3-[6-(3-Benzo[1,3]dioxol-5-yl-5-nitro-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy}-butyric acid ethyl ester molecular structure](/img/chemical/57586471.png)