1. Primary Information
| English name: | 2-Butenedioic acid |
| CAS No.: | 26099-09-2 |
| Molecular formula: | C4H4O4 |
| Molecular weight: | 116.07 g/mol |
| SMILES: | C(=CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
(E)-2-butenedioic acid 2-butenedioic acid ammonium fumarate fumarate dianion fumarate(2-) |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100g | 50% in H2O | 48 | RT | in stock | - |
| Kehua Intelligence | 500g | 50% in H2O | 104 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
but-2-enedioic acid
4.2 InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
4.3 InChIKey
VZCYOOQTPOCHFL-UHFFFAOYSA-N
4.4 Canonical SMILES
C(=CC(=O)O)C(=O)O
4.5 Isomeric SMILES
-
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
