Introduction：Basic information about CAS 6001-76-9|Chlorogenic acid hemihydrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Chlorogenic acid hemihydrate |
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| CAS Number | 6001-76-9 | Molecular Weight | 726.63300 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C32H38O19 | Melting Point | 206-210ºC |
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| MSDS | / | Flash Point | / |
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Names
| Name | Chlorogenic acid hemihydrate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Melting Point | 206-210ºC |
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| Molecular Formula | C32H38O19 |
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| Molecular Weight | 726.63300 |
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| Exact Mass | 726.20100 |
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| PSA | 338.73000 |
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| InChIKey | KMUJVRDSAIKKTF-MTDLMOCGSA-N |
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| SMILES | O.O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O.O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O |
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Synonyms
| EINECS 206-325-6 |
| MFCD00003862 |
| (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid,hydrate |
