5-Hydroxyanthranilic acid

HCID 164592CAS 394-31-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc(O)cc1C(=O)O
InChIKey: HYNQTSZBTIOFKH-UHFFFAOYSA-N
分子式: C7H7NO3
平均分子量: 153.14 g/mol
単同位体質量: 153.04259308

概要

2-Amino-5-hydroxybenzoic acid is a hydroxybenzoic acid.

名称と識別子

優先名称: 5-Hydroxyanthranilic acid
IUPAC: 2-amino-5-hydroxybenzoic acid
英語名: 394-31-0
分子量: 0

名称と別名

2-Amino-5-hydroxybenzoic acid5-Hydroxyanthranilic acid394-31-0DiabetonUF9WW3I410DTXSID70192587RefChem:536231DTXCID10115078628-812-6Benzoic acid, 2-amino-5-hydroxy-MFCD000078702-amino-5-hydroxy-benzoic acid

名称をさらに表示

UNII-UF9WW3I410SCHEMBL258366CHEBI:181437AKOS0001197735-HYDROXYANTHRANILIC ACID [WHO-DD]H063110.14272/HYNQTSZBTIOFKH-UHFFFAOYSA-N.1Q27291057

データベース識別子

CAS: 394-31-0
PubChem CID: 164592
DTXSID: DTXSID70192587
ChEBI: CHEBI:181437
UNII: UF9WW3I410
EC Number: 628-812-6
Nikkaji: J71.710J

物性

構造計算による物性

XLogP: 0.6
極性表面積: 83.6 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 160

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.