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| IUPAC Name: | 3-methyl-4-methylsulfonylbenzoic acid |
| Description: | 3-Methyl-4-(methylsulfonyl)benzoic Acid (CAS# 1186663-65-9) is used as a reactant in the preparation of benzoxazepines as ATP-competitive and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR). |
| Molecular Weight: | 214.24 |
| Molecular Formula: | C9H10O4S |
| Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)C |
| InChI: | InChI=1S/C9H10O4S/c1-6-5-7(9(10)11)3-4-8(6)14(2,12)13/h3-5H,1-2H3,(H,10,11) |
| InChI Key: | JVBNILACPMFONW-UHFFFAOYSA-N |
| Storage: | Sealed in dry, 2-8 °C |
| LogP: | 2.17750 |
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Carbonyl Compounds
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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