1. Primary Information
| English name: | trans-Aconitic acid |
| CAS No.: | 4023-65-8 |
| Molecular formula: | C6H6O6 |
| Molecular weight: | 174.11 g/mol |
| SMILES: | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
Achilleic Acid Aconitate Aconitic Acid Carboxyglutaconic Acid Citridic Acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 200mg | HPLC≥98% | 336 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98% | 89 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ≥98% | 336 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | ≥98% | 1120 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-prop-1-ene-1,2,3-tricarboxylic acid
4.2 InChI
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
4.3 InChIKey
GTZCVFVGUGFEME-HNQUOIGGSA-N
4.4 Canonical SMILES
C(C(=CC(=O)O)C(=O)O)C(=O)O
4.5 Isomeric SMILES
C(/C(=C\C(=O)O)/C(=O)O)C(=O)O
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
