| Melting point |
200.0 to 204.0 °C |
| Boiling point |
449.4±35.0 °C(Predicted) |
| Density |
1.256±0.06 g/cm3(Predicted) |
| RTECS |
UG0900000 |
| storage temp. |
-20°C |
| solubility |
DMSO: soluble10mg/mL, clear |
| form |
powder |
| pka |
9.41±0.26(Predicted) |
| color |
white to beige |
| Water Solubility |
Soluble in 1eq. NaOH (30 mM), ethanol (100 mM), DMSO (100 mM), DMF (~30 mg/ml), and water (0.5 mg/ml at 25°C). |
| Stability |
Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month. |
| InChI |
1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2 |
| InChIKey |
GHZHWDWADLAOIQ-UHFFFAOYSA-N |
| SMILES |
Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 |
