Introduction：Basic information about CAS 305364-91-4|5'-Demethylaquillochin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5'-Demethylaquillochin |
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| CAS Number | 305364-91-4 | Molecular Weight | 402.352 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 680.2±55.0 °C at 760 mmHg |
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| Molecular Formula | C20H18O9 | Melting Point | 245-246 °C |
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| MSDS | / | Flash Point | 245.3±25.0 °C |
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Names
| Name | (2R,3R)-3-(3,4-Dihydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-5-met hoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 680.2±55.0 °C at 760 mmHg |
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| Melting Point | 245-246 °C |
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| Molecular Formula | C20H18O9 |
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| Molecular Weight | 402.352 |
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| Flash Point | 245.3±25.0 °C |
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| Exact Mass | 402.095093 |
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| PSA | 127.82000 |
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| LogP | 0.95 |
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| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
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| Index of Refraction | 1.638 |
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| InChIKey | ATBGMZCSYDMJJM-RHSMWYFYSA-N |
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| SMILES | COc1cc(C2Oc3c(OC)cc4ccc(=O)oc4c3OC2CO)cc(O)c1O |
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Synonyms
| 9H-Pyrano[2,3-f]-1,4-benzodioxin-9-one, 3-(3,4-dihydroxy-5-methoxyphenyl)-2,3-dihydro-2-(hydroxymethyl)-5-methoxy-, (2R,3R)- |
| (2R,3R)-3-(3,4-Dihydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one |
