1. Primary Information
| English name: | Monomethyl Fumarate |
| CAS No.: | 2756-87-8 |
| Molecular formula: | C5H6O4 |
| Molecular weight: | 130.10 g/mol |
| SMILES: | COC(=O)C=CC(=O)O |
| Structural class: | |
| Other identifiers: |
bafiertam methyl hydrogen fumarate methylhydrogenfumarate monomethyl fumarate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥97% | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 97% | 24 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 97% | 29 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 97% | 56 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | 97% | 192 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-4-methoxy-4-oxobut-2-enoic acid
4.2 InChI
InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+
4.3 InChIKey
NKHAVTQWNUWKEO-NSCUHMNNSA-N
4.4 Canonical SMILES
COC(=O)C=CC(=O)O
4.5 Isomeric SMILES
COC(=O)/C=C/C(=O)O
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
