1. Primary Information
| English name: | 3-Methoxybenzoic acid |
| CAS No.: | 586-38-9 |
| Molecular formula: | C8H8O3 |
| Molecular weight: | 152.15 g/mol |
| SMILES: | COC1=CC=CC(=C1)C(=O)O |
| Structural class: | |
| Other identifiers: |
3-anisic acid 3-methoxybenzoic acid m-anisic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | ≥98% | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | ≥98% | 448 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-methoxybenzoic acid
4.2 InChI
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
4.3 InChIKey
XHQZJYCNDZAGLW-UHFFFAOYSA-N
4.4 Canonical SMILES
COC1=CC=CC(=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
