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| IUPAC Name: | dimethyl 2-methylidenebutanedioate |
| Description: | Dimethyl itaconate (CAS# 617-52-7) is a chemical reagent used in the synthesis of functionalized 2-isoxazolines used in fragment-based drug discovery. |
| Molecular Weight: | 158.15 |
| Molecular Formula: | C7H10O4 |
| Canonical SMILES: | COC(=O)CC(=C)C(=O)OC |
| InChI: | InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3 |
| InChI Key: | ZWWQRMFIZFPUAA-UHFFFAOYSA-N |
| Boiling Point: | 208 ℃ |
| Melting Point: | 34-39 ℃ |
| Purity: | 95 % |
| Density: | 1.124 g/cm3 |
| Appearance: | Liquid. |
| Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00008446 |
| LogP: | 0.27870 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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