BENZOICACID,3-(4,5-DIHYDRO-3-ISOXAZOLYL)-2-METHYL-4-(METHYLSULFONYL)- 基本信息
| 中文名称 | BENZOICACID,3-(4,5-DIHYDRO-3-ISOXAZOLYL)-2-METHYL-4-(METHYLSULFONYL)- |
|---|---|
| 中文同义词 | 3-(4,5-二氢-3-异恶唑基)-2-甲基-4-(甲基磺酰基)苯甲酸;3-(4,5-二氢-3-异噁唑基)-2-甲基-4-(甲基磺酰基)苯甲酸 |
| 英文名称 | Benzoicacid,3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)- |
| 英文同义词 | Benzoicacid,3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-;223646-24-0 293W9556ML 3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid UNII-293W9556ML Benzoic acid, 3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-;223646-24-0;223646-24-0 293W9556ML 3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid UNII-293W9556ML Benzoic acid, 3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-;3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoic acid;3-(4,5-Dihydro-3-Isoxazolyl)-2-Methyl-4-(Methylsulfonyl)-Benzoic Acid;3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid |
| CAS号 | 223646-24-0 |
| 分子式 | C12H13NO5S |
| 分子量 | 283.3 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 223646-24-0.mol |
| 结构式 |  |
BENZOICACID,3-(4,5-DIHYDRO-3-ISOXAZOLYL)-2-METHYL-4-(METHYLSULFONYL)- 性质
| 沸点 | 535.2±60.0 °C(Predicted) |
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| 密度 | 1.46±0.1 g/cm3(Predicted) |
| 酸度系数(pKa) | 2.65±0.25(Predicted) |
| InChI | InChI=1S/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15) |
| InChIKey | JHIDHJCCPYAESR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(S(C)(=O)=O)C(C2CCON=2)=C1C |
| EPA化学物质信息 | Benzoic acid, 3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)- (223646-24-0) |