4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile
CAS N/A MFCD00243580
化学结构图
SMILES: CC(=O)C(C)OC1C=CC(=CC=1)C#N
化学属性
| Mol. Formula | C11H11NO2 |
|---|---|
| Mol. Weight | 189.21 |
| Melting Point | 74-76° |
别名和识别编码
| Chemical Name | 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile |
|---|---|
| Alfabeta Name | METHYLOXOPROPOXYBENZENECARBONITRILE 412()---- |
| MDL Number | MFCD00243580 |
| Synonym | 4-(1-methyl-2-oxopropoxy)benzenecarbonitrile |
分类
- {KO} Nitriles
- {KO} Ketones
- {SNA} Building Blocks, C10 to C27, C11, Chemical Synthesis, Cyanides/Nitriles, Ethers, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds
安全信息
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
3
Rotatable Bonds
3
LogP
2
