CAS 164721-32-8 Methyl 3-hydroxy-6-methoxypicolinate (HCID 17817640)

基本情報

CAS: 164721-32-8
標準SMILES: COC(=O)c1nc(OC)ccc1O
InChIKey: CXIYKAIOXVEZAP-UHFFFAOYSA-N
分子式: C8H9NO4
平均分子量: 183.16 g/mol

名称と識別子

優先名称: Methyl 3-hydroxy-6-methoxypicolinate
IUPAC: methyl 3-hydroxy-6-methoxypyridine-2-carboxylate

名称と別名

164721-32-8Methyl 3-hydroxy-6-methoxypicolinatemethyl 3-hydroxy-6-methoxypyridine-2-carboxylatemethyl3-hydroxy-6-methoxypyridine-2-carboxylateSCHEMBL5583709CXIYKAIOXVEZAP-UHFFFAOYSA-NMethyl 3-hydroxy-6-methoxy-picolinateEN300-24209108

データベース識別子

CAS: 164721-32-8
PubChem CID: 17817640
EC Number: 119-218-3

物性

構造計算による物性

XLogP: 1.5
極性表面積: 68.7 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 185

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.