Chemical Properties
| Melting point | 200°C (dec.) |
| alpha | D20 -65° (alc) |
| Boiling point | 586.7±50.0 °C(Predicted) |
| Density | 1.56±0.1 g/cm3(Predicted) |
| storage temp. | room temp |
| pka | 9.19±0.26(Predicted) |
| form | powder or crystals |
| color | white to light brown |
| InChI | 1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1 |
| InChIKey | NVLTYOJHPBMILU-YOVYLDAJSA-N |
| SMILES | OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O || OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
| LogP | -1.650 (est) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 22-45 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
