1. Primary Information
| English name: | 12-Oxooctadecanoic acid |
| CAS No.: | 925-44-0 |
| Molecular formula: | C18H34O3 |
| Molecular weight: | 298.5 g/mol |
| SMILES: | CCCCCCC(=O)CCCCCCCCCCC(=O)O |
| Structural class: | |
| Other identifiers: |
12-ketostearate 12-oxooctadecanoic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | ≥98% | 1190 | −20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
12-oxooctadecanoic acid
4.2 InChI
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
4.3 InChIKey
OFOWUDSDZLONKT-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCC(=O)CCCCCCCCCCC(=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
-- No 3D model data available --
