HCID557678

1-methyl-1H-imidazole-2-carboxylic acid

1-methylimidazole-2-carboxylic acid

C5H6N2O2126.11 g/molCAS 20485-43-2

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: Cn1ccnc1C(=O)O
InChIKey: WLDPWZQYAVZTTP-UHFFFAOYSA-N
分子式: C5H6N2O2
平均分子量: 126.11 g/mol
单同位素质量: 126.04292744

COMPUTED

结构计算性质

等待补全

XLogP: -0.1
极性表面积: 55.1 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 126

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 37 条

1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2DTXSID00339660RefChem:433828DTXCID40290741626-320-61-methylimidazole-2-carboxylic acid1H-Imidazole-2-carboxylic acid, 1-methyl-MFCD018634211-methyl-imidazole-2-carboxylic acid1-Methyl-1H-imidazole-2-carboxylicacid1-METHYL-1H-2-IMIDAZOLECARBOXYLIC ACIDSCHEMBL114011SCHEMBL1851993CHEMBL5177183SCHEMBL12234495SCHEMBL17510050CHEBI:74743imidazole, 2-carboxy-1-methyl-ALBB-026373

REACTIONS

参与反应

37 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447104B2

查看

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

查看

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07566735B2

查看

uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06660744B1

查看

uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08865698B2

查看

uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871753B2

查看

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09315518B2

查看

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071607B2

查看