1173097-47-6
| Name | INDEX NAME NOT YET ASSIGNED |
| CAS | 1173097-47-6 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.17 |
| MOL File | 1173097-47-6.mol |
Chemical Properties
| Melting point | 250-253°C (dec.) (lit.) |
| Boiling point | 398.062±32.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.421±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| form | solid |
| InChI | 1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+/i1D,2D,3D,4D,5D/hD2 |
| InChIKey | AFVLVVWMAFSXCK-BMKBMMDNSA-N |
| SMILES | [2H]OC(=O)\C(C#N)=C(/[2H])c1c([2H])c([2H])c(O[2H])c([2H])c1[2H] |