145655-13-6
| Name | 3,5-Pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 3,5-dimethyl ester |
| CAS | 145655-13-6 |
| Molecular Formula | C17H16N2O7 |
| Molecular Weight | 360.32 |
| MOL File | 145655-13-6.mol |
Chemical Properties
| Boiling point | 520.8±50.0 °C(Predicted) |
| density | 1.356±0.06 g/cm3(Predicted) |
| pka | 12.35±0.10(Predicted) |
| InChI | InChI=1S/C17H16N2O7/c1-9-13(16(21)25-2)14(10-6-4-5-7-12(10)19(23)24)15(17(22)26-3)11(8-20)18-9/h4-7,20H,8H2,1-3H3 |
| InChIKey | HCUSOXCQYPMMNV-UHFFFAOYSA-N |
| SMILES | C1(CO)=NC(C)=C(C(OC)=O)C(C2=CC=CC=C2[N+]([O-])=O)=C1C(OC)=O |