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| IUPAC Name: | 2-methyl-3,5-dinitrobenzoic acid |
| Description: | 3,5-Dinitro-o-toluic acid (CAS# 28169-46-2) is used to gather data for partition coefficients of solutes and vapors into anhydrous THF and 1,4-dioxane using Abraham model. |
| Molecular Weight: | 226.14 |
| Molecular Formula: | C8H6N2O6 |
| Canonical SMILES: | CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChI: | InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12) |
| InChI Key: | CDVNZMKTJIBBBV-UHFFFAOYSA-N |
| Boiling Point: | 405.2 ℃ at 760 mmHg |
| Density: | 1.593 g/cm3 |
| Solubility: | Soluble in water. |
| Appearance: | Light yellow crystalline powder |
| MDL: | MFCD00007161 |
| LogP: | 2.55600 |
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