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| IUPAC Name: | 3,5-dimethylbenzoic acid |
| Description: | 3,5-Dimethylbenzoic acid (CAS# 499-06-9) is a useful synthetic intermediate. It is a reagent used to synthesize 5-Benzoyl-m-xylene (B209800). It can also be used to prepare quinoline inhibitors of Dengue viral NS2B-NS3 protease. |
| Molecular Weight: | 150.17 |
| Molecular Formula: | C9H10O2 |
| Canonical SMILES: | CC1=CC(=CC(=C1)C(=O)O)C |
| InChI: | InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11) |
| InChI Key: | UMVOQQDNEYOJOK-UHFFFAOYSA-N |
| Boiling Point: | 278 ℃ |
| Melting Point: | 169-172 ℃ |
| Purity: | 98+ % |
| Density: | 1.211 g/cm3 (20 ℃) |
| Appearance: | White to light yellow crystalline powder |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00002525 |
| LogP: | 2.00160 |
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