1. Primary Information
| English name: | 3-Methylglutaric acid |
| CAS No.: | 626-51-7 |
| Molecular formula: | C6H10O4 |
| Molecular weight: | 146.14 g/mol |
| SMILES: | CC(CC(=O)O)CC(=O)O |
| Structural class: | |
| Other identifiers: |
3-methylglutaric acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | 98% | 28 | RT | in stock | - |
| Kehua Intelligence | 5g | 98% | 96 | RT | in stock | - |
| Kehua Intelligence | 25g | 98% | 320 | RT | in stock | - |
| Kehua Intelligence | 100g | 98% | 1120 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-methylpentanedioic acid
4.2 InChI
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
4.3 InChIKey
XJMMNTGIMDZPMU-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(CC(=O)O)CC(=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
