5-O-Caffeoylshikimic acid
(3R,4R,5R)-5-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxycyclohexene-1-carboxylic acid
Also Known As: 5-O-Caffeoylshikimic acid
CAS: 73263-62-4
| Molecular Formula | C16H16O8 |
|---|---|
| Molecular Weight | 336.0845 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0845 |
| Monoisotopic Mass | 336.0845 |
| Heavy Atoms | 24 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 73263-62-4 |
|---|---|
| SMILES | C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O |
| InChIKey | QMPHZIPNNJOWQI-UMVBOHGHSA-N |
Product Overview
5-O-Caffeoylshikimic acid (CAS 73263-62-4), with molecular formula C16H16O8 and molecular weight 336.0845 g/mol. IUPAC: (3R,4R,5R)-5-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxycyclohexene-1-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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