Ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate

HCID 23320177

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 219568-43-1
標準SMILES: CCOC(=O)c1n[nH]c2ccccc2c1=O
InChIKey: GKZADQFFKFUDKN-UHFFFAOYSA-N
分子式: C11H10N2O3
平均分子量: 218.21 g/mol
単同位体質量: 218.06914219

名称と識別子

優先名称: Ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate
IUPAC: ethyl 4-oxo-1H-cinnoline-3-carboxylate

名称と別名

ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate219568-43-1RefChem:595484824-516-8Ethyl 4-hydroxycinnoline-3-carboxylate37967-71-8ethyl 4-oxo-1H-cinnoline-3-carboxylateSCHEMBL3716680SCHEMBL10861354GKZADQFFKFUDKN-UHFFFAOYSA-NUIA56843AKOS013101591

名称をさらに表示

AKOS040713363CS-0259848EN300-74283ethyl4-oxo-1,4-dihydrocinnoline-3-carboxylateG20959Z11670445094-oxo-1,4-dihydrocinnoline-3-carboxylic acid ethyl ester

データベース識別子

CAS: 219568-43-1
PubChem CID: 23320177
EC Number: 824-516-8

物性

構造計算による物性

XLogP: 1.9
極性表面積: 67.8 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: 16
形式電荷: 0
複雑度: 338

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

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