Introduction：Basic information about CAS 534-61-2|Cyclohexanecarboxylicacid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Cyclohexanecarboxylicacid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-,(1S,3R,4S,5R)- |
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| CAS Number | 534-61-2 | Molecular Weight | 354.30900 |
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| Density | 1.65g/cm3 | Boiling Point | 665ºC at 760mmHg |
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| Molecular Formula | C16H18O9 | Melting Point | / |
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| MSDS | / | Flash Point | 245.5ºC |
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Names
| Name | Isochlorogenic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.65g/cm3 |
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| Boiling Point | 665ºC at 760mmHg |
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| Molecular Formula | C16H18O9 |
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| Molecular Weight | 354.30900 |
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| Flash Point | 245.5ºC |
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| Exact Mass | 354.09500 |
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| PSA | 164.75000 |
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| Index of Refraction | 1.69 |
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| InChIKey | CWVRJTMFETXNAD-DUXPYHPUSA-N |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O |
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Synonyms
| neochlorogenic acid |
| 5-caffeoylquinic acid |
| Isochlorogenic |
| 3-caffeoylquinic acid |
| 3-mono-O-caffeoylquinic acid |
| 3-O-caffeoylquinic acid |
| caffeoylquinic acid |
