HCID90289

2-Methyl-3-nitrobenzyl alcohol

(2-methyl-3-nitrophenyl)methanol

C8H9NO3167.16 g/molCAS 23876-13-3

查看相关反应子结构检索查找相似结构

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

等待补全

XLogP: 1.6
极性表面积: 66.1 Å²
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

共 38 条

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

24 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

uspto-grants-1989_12 · 10.6084/m9.figshare.5104873.v1 · US04885022

查看

uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04536591

查看

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

uspto-grants-1982_05 · 10.6084/m9.figshare.5104873.v1 · US04329518

查看

uspto-grants-1992_01 · 10.6084/m9.figshare.5104873.v1 · US05082848

查看