HCID70343

Fibric acid

2-methyl-2-phenoxypropanoic acid

C10H12O3180.2 g/molCAS 943-45-3

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: CC(C)(Oc1ccccc1)C(=O)O
InChIKey: ILPUOPPYSQEBNJ-UHFFFAOYSA-N
分子式: C10H12O3
平均分子量: 180.2 g/mol
单同位素质量: 180.07864424

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 181

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 53 条

943-45-3Phenoxyisobutyric acidfibric acid2-Phenoxyisobutyric acid2-Methyl-2-phenoxypropionic acid2-phenoxy-2-methylpropionic acidDTXSID40241410NSC-340106848ST447Qmethyl-2-phenoxypropanoic acidRefChem:140387DTXCID40163901213-402-82-methyl-2-phenoxypropanoic acid2-methyl-2-phenoxy-propanoic acid2-Methyl-2-phenoxy-propionic acidMFCD00129939Propanoic acid, 2-methyl-2-phenoxy-2-phenoxy-2-methylpropanoic acidEINECS 213-402-8

REACTIONS

参与反应

18 条

uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05273993

查看

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

查看

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

查看

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

查看

uspto-grants-2005_07 · 10.6084/m9.figshare.5104873.v1 · US06919377B2

查看

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

查看

uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09382236B2

查看

uspto-grants-1997_09 · 10.6084/m9.figshare.5104873.v1 · US05668138

查看