77727-18-5
| Name | Candidone |
| CAS | 77727-18-5 |
| Molecular Formula | C22H24O4 |
| MDL Number | MFCD24849324 |
| Molecular Weight | 352.42 |
| MOL File | 77727-18-5.mol |
Chemical Properties
| Melting point | 97-100 °C |
| Boiling point | 520.0±50.0 °C(Predicted) |
| density | 1.130±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| form | solid |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1 |
| InChIKey | JYESOAFLKFHYHP-SFHVURJKSA-N |
| SMILES | COc1cc(OC)c2C(=O)C[C@H](Oc2c1C\C=C(\C)C)c3ccccc3 |
