1. Primary Information
| English name: | 2-Methylvaleric acid |
| CAS No.: | 97-61-0 |
| Molecular formula: | C6H12O2 |
| Molecular weight: | 116.16 g/mol |
| SMILES: | CCCC(C)C(=O)O |
| Structural class: | |
| Other identifiers: |
2-methylvalerate 2-methylvaleric acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 76 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-methylpentanoic acid
4.2 InChI
InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
4.3 InChIKey
OVBFMEVBMNZIBR-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCC(C)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
