(3aS)-4-Bromo-3a 5A 6A 6b-tetrahydro-2
- Product Name(3aS)-4-Bromo-3a 5A 6A 6b-tetrahydro-2
- CAS130669-74-8
- MFC9H11BrO3
- MW247.09
- EINECS
- MOL File130669-74-8.mol
Chemical Properties
| Melting point | 76-79 °C(lit.) |
| Boiling point | 293.8±40.0 °C(Predicted) |
| Density | 1.577±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| optical activity | [α]25/D +106°, c = 1 in methanol |
| InChI | 1S/C9H11BrO3/c1-9(2)12-6-4(10)3-5-7(11-5)8(6)13-9/h3,5-8H,1-2H3/t5-,6-,7-,8-/m1/s1 |
| InChIKey | IJFOOAYHPAECGI-WCTZXXKLSA-N |
| SMILES | [H][C@]12O[C@@]1([H])[C@]3([H])OC(C)(C)O[C@]3([H])C(Br)=C2 |