Identifiers & Physical Properties
| CAS No. | 59584-27-9 |
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| Molecular formula | C15H14O4S |
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| Average molar mass | 290.3 g/mol |
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| Monoisotopic mass | 290.0612801 g/mol |
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| SMILES | COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 |
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| InChIKey | KWNRUGXHMFZYBW-UHFFFAOYSA-N |
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| PubChem CID | 364981 |
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| ChEMBL | CHEMBL2003628 |
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| DTXSID | DTXSID60327109 |
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Chemical & Physical Properties
| XLogP | 1.9 |
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| Topological polar surface area | 68.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 410 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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