1. Primary Information
| English name: | Mandelic Acid |
| CAS No.: | 611-72-3 |
| Molecular formula: | C8H8O3 |
| Molecular weight: | 152.15 g/mol |
| SMILES: | C1=CC=C(C=C1)C(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
mandelic acid mandelic acid, (+-)-isomer mandelic acid, (11)C-labeled mandelic acid, (R)-isomer mandelic acid, (S)-isomer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25g | 99% | 120 | RT | in stock | - |
| Kehua Intelligence | 100g | 99% | 240 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-hydroxy-2-phenylacetic acid
4.2 InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
4.3 InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)C(C(=O)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
