HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19082175Generated: November 4, 2026
3-[2-[2-[4-Nitrophenyl]ethoxy]ethylsulphonyl]propanoic acid
https://huagongshe.com/en/chemical/19082175
Identifiers & Physical Properties
| Molecular formula | C13H17NO7S |
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| Average molar mass | 331.34 g/mol |
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| Monoisotopic mass | 331.07257305 g/mol |
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| SMILES | O=C(O)CCS(=O)(=O)CCOCCc1ccc([N+](=O)[O-])cc1 |
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| InChIKey | JCSIFSAEZGNPJY-UHFFFAOYSA-N |
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| PubChem CID | 19082175 |
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Chemical & Physical Properties
| XLogP | 0.7 |
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| Topological polar surface area | 135 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 458 |
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![3-[2-[2-[4-Nitrophenyl]ethoxy]ethylsulphonyl]propanoic acid molecular structure](/img/chemical/19082175.png)