HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106933Generated: November 2, 2026
1-Propanesulfonic acid, 3,3'-(2-butyne-1,4-diylbis(oxy))bis(2-hydroxy-
https://huagongshe.com/en/chemical/106933
Identifiers & Physical Properties
| CAS No. | 40456-31-3 |
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| Molecular formula | C10H18O10S2 |
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| Average molar mass | 362.4 g/mol |
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| Monoisotopic mass | 362.03413911 g/mol |
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| SMILES | O=S(=O)(O)CC(O)COCC#CCOCC(O)CS(=O)(=O)O |
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| InChIKey | FMVJTYLDBPDVLA-UHFFFAOYSA-N |
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| PubChem CID | 106933 |
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| EC No. | 254-928-8 |
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| DTXSID | DTXSID80865997 |
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Chemical & Physical Properties
| XLogP | -3.5 |
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| Topological polar surface area | 184 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 521 |
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Safety & Regulations
| Regulatory information | Chemical: 1-Propanesulfonic acid, 3,3'-[2-butyne-1,4-diylbis(oxy)]bis[2-hydroxy- |
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| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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