1. Primary Information
| English name: | Dimethyl Fumarate |
| CAS No.: | 624-49-7 |
| Molecular formula: | C6H8O4 |
| Molecular weight: | 144.12 g/mol |
| SMILES: | COC(=O)C=CC(=O)OC |
| Structural class: | |
| Other identifiers: |
00012, BG 12 compound, BG 2-butenedioic acid, (2E)-, dimethyl ester 201, FAG BG 00012 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | GC≥98% | 144 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 97% | 19 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 97% | 25 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | 97% | 76 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
dimethyl (E)-but-2-enedioate
4.2 InChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
4.3 InChIKey
LDCRTTXIJACKKU-ONEGZZNKSA-N
4.4 Canonical SMILES
COC(=O)C=CC(=O)OC
4.5 Isomeric SMILES
COC(=O)/C=C/C(=O)OC
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
