uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425557B2
查看IDENTITY
结构与身份
- 标准SMILES
- CCc1ccc(C(C)=O)cc1
- InChIKey
- NODGRWCMFMEGJH-UHFFFAOYSA-N
- 分子式
- C10H12O
- 平均分子量
- 148.2 g/mol
- 单同位素质量
- 148.088815
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 132
物化、安全与法规信息正在同步。
ALIASES
名称与别名
4'-Ethylacetophenone4-ETHYLACETOPHENONEp-EthylacetophenoneEthanone, 1-(4-ethylphenyl)-Acetophenone, 4'-ethyl-p-Acetylethylbenzenep-Ethylphenyl methyl ketone1-acetyl-4-ethylbenzeneLSA7B53YDONSC 6768NSC-6768EINECS 213-326-5UNII-LSA7B53YDOAI3-08507DTXSID5061326RefChem:95976DTXCID6048880Acetophenone, 4'-ethyl-(8CI)NODGRWCMFMEGJH-UHFFFAOYSA-N937-30-4
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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