Identifiers & Physical Properties
| CAS No. | 538-58-9 |
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| Molecular formula | C17H14O |
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| Average molar mass | 234.29 g/mol |
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| Monoisotopic mass | 234.10446507 g/mol |
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| SMILES | O=C(C=Cc1ccccc1)C=Cc1ccccc1 |
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| InChIKey | WMKGGPCROCCUDY-UHFFFAOYSA-N |
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| PubChem CID | 95417 |
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| DTXSID | DTXSID0060224 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 17.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 272 |
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| SpringerMaterials Properties | Chemical shift |
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Safety & Regulations
| Regulatory information | Chemical: 1,4-Pentadien-3-one, 1,5-diphenyl- |
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