1. Primary Information
| English name: | 2-Oxobutanoic acid |
| CAS No.: | 600-18-0 |
| Molecular formula: | C4H6O3 |
| Molecular weight: | 102.09 g/mol |
| SMILES: | CCC(=O)C(=O)O |
| Structural class: | |
| Other identifiers: |
2-ketobutyrate 2-ketobutyric acid 2-oxobutanoate 2-oxobutyrate alpha-ketobutyric acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | BR，95% | 144 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | BR，95% | 520 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-oxobutanoic acid
4.2 InChI
InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
4.3 InChIKey
TYEYBOSBBBHJIV-UHFFFAOYSA-N
4.4 Canonical SMILES
CCC(=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
