1. Primary Information
| English name: | Dimethylmalonic acid |
| CAS No.: | 595-46-0 |
| Molecular formula: | C5H8O4 |
| Molecular weight: | 132.11 g/mol |
| SMILES: | CC(C)(C(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
2,2-dimethylmalonate 2,2-dimethylmalonic acid hydrogen 2,2-dimethylmalonate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 112 | RT | in stock | - |
| Kehua Intelligence | 5g | 98% | 28 | RT | in stock | - |
| Kehua Intelligence | 25g | 98% | 84 | RT | in stock | - |
| Kehua Intelligence | 100g | 98% | 316 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,2-dimethylpropanedioic acid
4.2 InChI
InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
4.3 InChIKey
OREAFAJWWJHCOT-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(C)(C(=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
