Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(C(=O)C(O)c2ccc(OC)cc2)cc1
- InChIKey
- LRRQSCPPOIUNGX-UHFFFAOYSA-N
- 分子式
- C16H16O4
- 平均分子量
- 272.29 g/mol
- 单同位素质量
- 272.10485899
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 55.8 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 302
物化、安全与法规信息正在同步。
ALIASES
名称与别名
119-52-8Anisoin4,4'-DimethoxybenzoinEthanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)-NSC-7960NSC-8504KUY567Z2QLDTXSID60883311RefChem:506665DTXCID50893247204-330-82-Hydroxy-1,2-bis(4-methoxyphenyl)ethanonep-AnisoinMFCD00008411p,p'-DimethoxybenzoinBenzoin, 4,4'-dimethoxy-2-hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-oneBenzoin,4'-dimethoxy-4,4'-Anisoin1,2-bis(4-methoxyphenyl)-2-hydroxyethan-1-one
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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