39604-80-3
| Name | JR-6991, 1-(4-(Benzyloxy)-2-hydroxyphenyl)-2-phenylethanone, 97% |
| CAS | 39604-80-3 |
| Molecular Formula | C21H18O3 |
| MDL Number | MFCD08446832 |
| Molecular Weight | 318.37 |
| MOL File | 39604-80-3.mol |
Chemical Properties
| Melting point | 104–108°C |
| Boiling point | 513.3±40.0 °C(Predicted) |
| density | 1.202±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 7.58±0.35(Predicted) |
| InChI | 1S/C21H18O3/c22-20(13-16-7-3-1-4-8-16)19-12-11-18(14-21(19)23)24-15-17-9-5-2-6-10-17/h1-12,14,23H,13,15H2 |
| InChIKey | MASNZNZALYEQEN-UHFFFAOYSA-N |
| SMILES | O=C(C1=C(O)C=C(OCC2=CC=CC=C2)C=C1)CC3=CC=CC=C3 |