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
- CC(C)CCOc1ccc2ccccc2c1C=O
- InChIKey
- PGMDHKOCPXCMBL-UHFFFAOYSA-N
- 分子式
- C16H18O2
- 平均分子量
- 242.31 g/mol
- 单同位素质量
- 242.13067981
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 5
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 262
ALIASES
名称与别名
SCHEMBL5661442PGMDHKOCPXCMBL-UHFFFAOYSA-NAKOS0052914262-(ISOPENTYLOXY)-1-NAPHTHALDEHYDE
REACTIONS
相关反应
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查看uspto-grants-2006_06 · 10.6084/m9.figshare.5104873.v1 · US07067534B1
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