| Boiling point |
605.711±55.00 °C(Press: 760.00 Torr)(predicted) |
| Density |
1.815±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. |
-20°C |
| solubility |
DMSO : 50 mg/mL (114.37 mM; Need ultrasonic) |
| form |
solid |
| pka |
7.461±0.20(predicted) |
| color |
Yellow to orange |
| InChI |
1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+ |
| InChIKey |
HSRMHXWCTRFVHK-NYYWCZLTSA-N |
| SMILES |
COc1cc(cc(I)c1O)\C=C(/C#N)C(=O)c2ccc(O)c(O)c2 |
