HCID646116

1-Phenyl-1H-Indole-2-Carboxylic Acid

1-phenylindole-2-carboxylic acid

C15H11NO2237.25 g/molCAS 58386-33-7

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: O=C(O)c1cc2ccccc2n1-c1ccccc1
InChIKey: WMHIWHPGXRRKJM-UHFFFAOYSA-N
分子式: C15H11NO2
平均分子量: 237.25 g/mol
单同位素质量: 237.07897859

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 42.2 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 312

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)

ALIASES

名称与别名

共 33 条

1-Phenyl-1H-indole-2-carboxylic acid58386-33-7DTXSID70349418RefChem:435532DTXCID70300488107-171-11-phenylindole-2-carboxylic acidF1901-0148l-phenylindole-2-carboxylic acidOprea1_131946Oprea1_758371MLS000031299SCHEMBL52083381-phenylindol-2-carboxylic acidCHEMBL1587360SCHEMBL16719428SCHEMBL301941961-phenyl-2-indolecarboxylic acidWMHIWHPGXRRKJM-UHFFFAOYSA-NHMS1604K08

REACTIONS