489-51-0
| Name | 4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid |
| CAS | 489-51-0 |
| Molecular Formula | C18H14O9 |
| Molecular Weight | 374.3 |
| MOL File | 489-51-0.mol |
Chemical Properties
| Boiling point | 670.8±55.0 °C(Predicted) |
| density | 1.628±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| form | solid |
| pka | 2.26±0.20(Predicted) |
| InChI | 1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24) |
| InChIKey | VOXMONAUSQZPTP-UHFFFAOYSA-N |
| SMILES | O1c2c(c(c(c(c2C)C(=O)O)O)CO)OC(=O)c3c1c(c(cc3C)O)C=O |