Benzoicacid,3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-
化学名:Benzoicacid,3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-
CAS番号.223646-24-0
英語名:Benzoicacid,3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-
CBNumberCB05500848
MFC12H13NO5S
MW283.3
MOL File223646-24-0.mol
Benzoicacid,3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-物理性質
| 沸点 | 535.2±60.0 °C(Predicted) |
| 比重(密度) | 1.46±0.1 g/cm3(Predicted) |
| 酸解離定数(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の化学物質情報 | Benzoic acid, 3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)- (223646-24-0) |