1. Primary Information
| English name: | 3-Hydroxyhexanoic acid |
| CAS No.: | 10191-24-9 |
| Molecular formula: | C6H12O3 |
| Molecular weight: | 132.16 g/mol |
| SMILES: | CCCC(CC(=O)O)O |
| Structural class: | |
| Other identifiers: |
3-hydroxycaproic acid 3-hydroxyhexanoate 3-hydroxyhexanoic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | ≥98% | 3120 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-hydroxyhexanoic acid
4.2 InChI
InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
4.3 InChIKey
HPMGFDVTYHWBAG-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCC(CC(=O)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
