Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCOP(=O)(OCC)c1ccc(C)cc1
- InChIKey
- GAPPVLJOQUCQIB-UHFFFAOYSA-N
- 分子式
- C11H17O3P
- 平均分子量
- 228.22 g/mol
- 单同位素质量
- 228.0915314
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 35.5 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 5
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 212
ALIASES
名称与别名
1754-46-71-diethoxyphosphoryl-4-methylbenzenep-Tolyl-phosphonic acid diethyl esterdiethyl p-tolylphosphonateMFCD000156691-diethoxyphosphoryl-4-methyl-benzenePhosphonic acid, P-(4-methylphenyl)-, diethyl esterP-TOLYL-PHOSPHONICACIDDIETHYLESTERSCHEMBL107781SCHEMBL6898817GAPPVLJOQUCQIB-UHFFFAOYSA-NDiethyl 4-Methylphenyl phosphonatediethyl 4-methyl-benzenephosphonateAKOS015962557SY311951
REACTIONS