Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

HCID 566079

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 66692-75-9
標準SMILES: CCOC(=O)C1C(C=O)C1(C)C
InChIKey: ZFZXRNVTYVRULM-UHFFFAOYSA-N
分子式: C9H14O3
平均分子量: 170.21 g/mol
単同位体質量: 170.09429431

名称と識別子

優先名称: Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
IUPAC: ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

名称と別名

ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylateRefChem:594958895-517-966692-75-9Ethyl 3-formyl-2,2-dimethylcyclopropanecarboxylatecaronaldehydeMFCD11500113SCHEMBL358792DTXSID70340607Cyclopropanecarboxylic acid, 3-formyl-2,2-dimethyl-, ethyl esterRCA69275AKOS006324572

名称をさらに表示

DB-171230EN300-131568ethyl 2,2-dimethyl-3-formylcyclopropanecarboxylateethyl 2-formyl-3,3-dimethylcyclopropanecarboxylateEthyl 3-formyl-2,2-dimethylcyclopropanecarboxylate #ethyl3-formyl-2,2-dimethylcyclopropane-1-carboxylateZ11983214162,2-dimethyl-3-formyl-cyclopropanecarboxylic acid ethyl ester

データベース識別子

CAS: 66692-75-9
PubChem CID: 566079
DTXSID: DTXSID70340607
EC Number: 895-517-9

物性

構造計算による物性補完中

XLogP: 0.9
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 208

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.