coniferin
Bezeichnung:coniferin
CAS-Nr531-29-3
Englisch Name:coniferin
CBNumberCB81330254
SummenformelC16H22O8
Molgewicht342.34
MOL-Datei531-29-3.mol
coniferin physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 186°C |
| Siedepunkt | 397.8°C (rough estimate) |
| Dichte | 1.2628 (rough estimate) |
| Brechungsindex | 1.4430 (estimate) |
| storage temp. | -20°C |
| Löslichkeit | DMSO: 10 mM |
| Aggregatzustand | A solid |
| pka | 12.81±0.70(Predicted) |
| Farbe | White to off-white |
| Wasserlöslichkeit | 4.975g/L(cold water) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2,4-7,12-21H,3,8H2,1H3/b6-2+/t12-,13-,14+,15-,16-/m1/s1 |
| InChIKey | XQIJIPVRXMWYLN-GLIXSRQJSA-N |
| SMILES | COc1cc(C\C=C\O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |
| LogP | -1.510 (est) |
| Kennzeichnung gefährlicher | Xi |
| R-Sätze: | 36 |
| S-Sätze: | 26 |
| WGK Germany | 3 |
| Speicherklasse | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |
