1. Primary Information
| English name: | Citraconic acid |
| CAS No.: | 498-23-7 |
| Molecular formula: | C5H6O4 |
| Molecular weight: | 130.10 g/mol |
| SMILES: | CC(=CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
(E)-2-methyl-2-butenedioic acid (Z)-2-methyl-2-butenedioic acid citraconic acid citraconic acid, (E)-isomer citraconic acid, ammonium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 120 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(Z)-2-methylbut-2-enedioic acid
4.2 InChI
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
4.3 InChIKey
HNEGQIOMVPPMNR-IHWYPQMZSA-N
4.4 Canonical SMILES
CC(=CC(=O)O)C(=O)O
4.5 Isomeric SMILES
C/C(=C/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
