1. Primary Information
| English name: | Sodium phenylpyruvate |
| CAS No.: | 114-76-1 |
| Molecular formula: | C9H7NAO3 |
| Molecular weight: | 186.14 g/mol |
| SMILES: | C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
3-phenylpyruvate beta-phenylpyruvic acid phenylpyruvate phenylpyruvic acid phenylpyruvic acid, calcium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | 85% | 128 | RT | in stock | - |
| Kehua Intelligence | 25g | 85% | 400 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;2-oxo-3-phenylpropanoate
4.2 InChI
InChI=1S/C9H8O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);/q;+1/p-1
4.3 InChIKey
MQGYVGKMCRDEAF-UHFFFAOYSA-M
4.4 Canonical SMILES
C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]
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 --
