CAS 169237-37-0 3-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid (HCID 54696064)

基本情報

CAS: 169237-37-0
標準SMILES: Cn1ccc(C(=O)O)c(O)c1=O
InChIKey: AUTKTIRQKUQXTL-UHFFFAOYSA-N
分子式: C7H7NO4
平均分子量: 169.13 g/mol

名称と識別子

優先名称: 3-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
IUPAC: 3-hydroxy-1-methyl-2-oxopyridine-4-carboxylic acid

名称と別名

169237-37-03-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acidRefChem:502286877-536-43-hydroxy-1-methyl-2-oxo-pyridine-4-carboxylic acid3-hydroxy-1-methyl-2-oxopyridine-4-carboxylic acidSCHEMBL2239237AUTKTIRQKUQXTL-UHFFFAOYSA-NUGA23737AKOS022711757AT19249SB74822

名称をさらに表示

DB-136631EN300-7027274-Carboxy-1-methyl-3-hydroxy-2(1H)-pyridinone3-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylicacid

データベース識別子

CAS: 169237-37-0
PubChem CID: 54696064
EC Number: 877-536-4
Nikkaji: J687.143G

物性

構造計算による物性

XLogP: 0
極性表面積: 77.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 303

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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)

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