HRID182861
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- Cc1c(CO)cccc1[N+](=O)[O-]
- InChIKey
- QJANIQCEDPJNLO-UHFFFAOYSA-N
- 分子式
- C8H9NO3
- 平均分子量
- 167.16 g/mol
- 单同位素质量
- 167.05824315
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 66.1 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 166
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-Methyl-3-nitrobenzyl alcohol23876-13-3Benzenemethanol, 2-methyl-3-nitro-2-methyl-3-nitroBenzenemethanol1EX8SC1ETWEINECS 245-923-1DTXSID20178578RefChem:475384DTXCID80101069245-923-1(2-Methyl-3-nitrophenyl)methanol2-Methyl-3-nitrobenzylalcoholMFCD00007166(2-methyl-3-nitrophenyl)methan-1-ol(2-methyl-3-nitro-phenyl)-methanolUNII-1EX8SC1ETWSCHEMBL7152982-methyl-3-nitrophenylmethanolSCHEMBL84821442-Methyl-3-nitro benzylalcohol
REACTIONS
参与反应
HRID485537
uspto-grants-1985_08
作为反应物
uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04536591
查看条件与参与物HRID698153
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID831490
Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID1065556
uspto-grants-1982_05
作为反应物
uspto-grants-1982_05 · 10.6084/m9.figshare.5104873.v1 · US04329518
查看条件与参与物HRID1090633
uspto-grants-1992_01
作为反应物
uspto-grants-1992_01 · 10.6084/m9.figshare.5104873.v1 · US05082848
查看条件与参与物HRID1114340
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1436854
uspto-grants-2009_11
作为反应物
uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07619095B2
查看条件与参与物