Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1CCc2ccc([N+](=O)[O-])cc2C1
- InChIKey
- BIZFHQDZRNKNAU-UHFFFAOYSA-N
- 分子式
- C10H9NO3
- 平均分子量
- 191.18 g/mol
- 单同位素质量
- 191.05824315
COMPUTED
结构计算性质
- XLogP
- 1.4
- 极性表面积
- 62.9 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 259
ALIASES
名称与别名
7-Nitro-2-tetralone122520-12-1DTXSID50462255RefChem:311121DTXCID404130747-Nitro-3,4-dihydronaphthalen-2(1H)-one7-nitro-3,4-dihydro-1H-naphthalen-2-one2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-7-NITRO-starbld0016523SCHEMBL1870205BIZFHQDZRNKNAU-UHFFFAOYSA-NAKOS006295650AB287407-nitro-3,4-dihydro-2(1h)-naphthalenone7-Nitro-3,4-dihydro-2(1H)-naphthaleneone7-Nitro-3,4dihydro-2-(1H)-naphthaleneone
REACTIONS
参与反应
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