5-Cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acid

HCID 22309080

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 943130-42-5
標準SMILES: O=C(O)c1c(-c2ccccc2)noc1C1CC1
InChIKey: AYTSCQOWGJBLDX-UHFFFAOYSA-N
分子式: C13H11NO3
平均分子量: 229.23 g/mol
単同位体質量: 229.07389321

名称と識別子

優先名称: 5-Cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acid
IUPAC: 5-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acid
英語名: 4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-phenyl-
分子式: C13H11NO3
分子量: 229.23

名称と別名

943130-42-55-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acidRefChem:535215877-546-95-cyclopropyl-3-phenylisoxazole-4-carboxylic acid5-Cyclopropyl-3-phenyl-isoxazole-4-carboxylic acidSCHEMBL1930966AYTSCQOWGJBLDX-UHFFFAOYSA-NTMB13042AKOS026706401CS-0243555EN300-265460

名称をさらに表示

4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-phenyl-

5-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylicacidF1907-0533

データベース識別子

CAS: 943130-42-5
PubChem CID: 22309080
EC Number: 877-546-9

物性

構造計算による物性

XLogP: 2.1
極性表面積: 63.3 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 17
形式電荷: 0
複雑度: 297

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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.