1. Primary Information
| English name: | Benzoic Acid |
| CAS No.: | 65-85-0 |
| Molecular formula: | C7H6O2 |
| Molecular weight: | 122.12 g/mol |
| SMILES: | C1=CC=C(C=C1)C(=O)O |
| Structural class: | |
| Other identifiers: |
Acid, Benzoic Benzoate, Potassium Benzoic Acid Potassium Benzoate Ucephan |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Purchase | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | HPLC≥98% | 80 | Buy now | 2-8℃ | in stock | - |
| Kehua Intelligence | 2ml | 1000μg/ml in methanol | 48 | Buy now | 2-8℃ | in stock | - |
| Kehua Intelligence | 10ml | 1000μg/ml in H2O | 72 | Buy now | 2-8℃ | in stock | - |
| Kehua Intelligence | 500ml | 12mmol/L | 96 | Buy now | RT,12个月 | in stock | - |
| Kehua Intelligence | 500g | 99% | 48 | Buy now | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g*10 | 99% | 390 | Buy now | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
benzoic acid
4.2 InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
4.3 InChIKey
WPYMKLBDIGXBTP-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)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
