1. Primary Information
| English name: | Phenylpyruvic acid |
| CAS No.: | 156-06-9 |
| Molecular formula: | C9H8O3 |
| Molecular weight: | 164.16 g/mol |
| SMILES: | C1=CC=C(C=C1)CC(=O)C(=O)O |
| 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 | 20mg | HPLC≥95% | 224 | -20℃，避光 | in stock | - |
| Kehua Intelligence | 1g | BR，93% | 152 | -20℃，避光 | in stock | - |
| Kehua Intelligence | 5g | BR，93% | 368 | -20℃，避光 | in stock | - |
| Kehua Intelligence | 25g | BR，93% | 1584 | -20℃，避光 | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-oxo-3-phenylpropanoic acid
4.2 InChI
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
4.3 InChIKey
BTNMPGBKDVTSJY-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)CC(=O)C(=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
