HCID12137656

3-Methylsulfonyl-5,5-dimethyl-2-isoxazoline

5,5-dimethyl-3-methylsulfonyl-4H-1,2-oxazole

C6H11NO3S177.22 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)CC(S(C)(=O)=O)=NO1
InChIKey: INCOVWJZVJYEAC-UHFFFAOYSA-N
分子式: C6H11NO3S
平均分子量: 177.22 g/mol
单同位素质量: 177.04596439

COMPUTED

结构计算性质

已同步

XLogP: 0.1
极性表面积: 64.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 283

ALIASES

名称与别名

共 6 条

SCHEMBL1412515INCOVWJZVJYEAC-UHFFFAOYSA-N3-methylsulfonyl-5,5-dimethyl-2-isoxazoline5,5-dimethyl-3-methylsulfonyl-2-isoxazoline3-Methane-sulfonyl-5,5-dimethyl-4,5-dihydroisoxazole3-Methanesulfonyl-5,5-dimethyl-4,5-dihydroisoxazole

REACTIONS