Ethyl 7-hydroxy-4-oxo-8-propyl-4H-chromene-2-carboxylate

HCID 4196515

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 42368-92-3
標準SMILES: CCCc1c(O)ccc2c(=O)cc(C(=O)OCC)oc12
InChIKey: KBJFWBWKNHQHDH-UHFFFAOYSA-N
分子式: C15H16O5
平均分子量: 276.28 g/mol
単同位体質量: 276.09977361

名称と識別子

優先名称: Ethyl 7-hydroxy-4-oxo-8-propyl-4H-chromene-2-carboxylate
IUPAC: ethyl 7-hydroxy-4-oxo-8-propylchromene-2-carboxylate
英語名: ethyl 7-hydroxy-4-oxo-8-propyl-4H-chromene-2-carboxylate
分子式: C15H16O5
分子量: 276.28

名称と別名

42368-92-3Ethyl 7-hydroxy-4-oxo-8-propyl-4H-chromene-2-carboxylateRefChem:596022655-390-0Oprea1_466981SCHEMBL9174879KBJFWBWKNHQHDH-UHFFFAOYSA-NAKOS024417661DA-199892-carboethoxy-7-hydroxy-8-n-propylchromone2-ethoxycarbonyl-7-hydroxy-8-n-propylchromoneethyl 7-hydroxy-8-n-propylchromone-2-carboxylate

名称をさらに表示

4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-4-oxo-8-propyl-, ethyl ester

Ethyl 7-Hydroxy-8-propyl-4-oxo-4H-1-benzopyran-2-carboxylateEthyl 7-hydroxy-4-oxo-8-n-propyl-4H-1-benzopyran-2-carboxylate

データベース識別子

CAS: 42368-92-3
PubChem CID: 4196515
EC Number: 655-390-0

物性

構造計算による物性

XLogP: 3
極性表面積: 72.8 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: 5
重原子数: 20
形式電荷: 0
複雑度: 414

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)

Aggregated GHS information provided per 39 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.