HCID74281

1H-Indole-7-carboxylic acid

C9H7NO2161.16 g/molCAS 1670-83-3

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IDENTITY

结构与身份

标准 SMILES: O=C(O)c1cccc2cc[nH]c12
InChIKey: IPDOBVFESNNYEE-UHFFFAOYSA-N
分子式: C9H7NO2
平均分子量: 161.16 g/mol
单同位素质量: 161.04767847

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 53.1 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 193

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

1H-Indole-7-carboxylic acid: ACTIVE

ALIASES

名称与别名

共 50 条

Indole-7-carboxylic acid1H-Indole-7-carboxylic acid1670-83-3EINECS 216-801-5DTXSID1061869RefChem:79884DTXCID6035360216-801-5IPDOBVFESNNYEE-UHFFFAOYSA-NMFCD00210442CHEMBL20181591~{H}-indole-7-carboxylic acid7-Indolecarboxylic acid7-CARBOXYINDOLEKXQIndole-7-carboxlic acidindole 7-carboxylic acid1H-indol-7-carboxylic acidOprea1_470510Oprea1_510927

REACTIONS

参与反应

118 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID87466

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物