159768-89-5
| Name | 1-Butanone, 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]- |
| CAS | 159768-89-5 |
| Molecular Formula | C13H18O5 |
| MDL Number | MFCD27967521 |
| Molecular Weight | 254.28 |
| MOL File | 159768-89-5.mol |
Chemical Properties
| Boiling point | 450.0±24.0 °C(Predicted) |
| density | 1.239±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO: 1mg/mL |
| form | solid |
| pka | 7.35±0.50(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C13H18O5/c1-3-4-9(15)12-11(18-2)7-10(16)8(5-6-14)13(12)17/h7,14,16-17H,3-6H2,1-2H3 |
| InChIKey | PTBQWWHUOMDVFS-UHFFFAOYSA-N |
| SMILES | OC1=C(C(O)=CC(OC)=C1C(CCC)=O)CCO |