CAS 80073-32-1 5-Methyl-3-isoxazolepropionic acid (HCID 133360)

基本情報

CAS: 80073-32-1
標準SMILES: Cc1cc(CCC(=O)O)no1
InChIKey: XSJUUJCTQWMNNG-UHFFFAOYSA-N
分子式: C7H9NO3
平均分子量: 155.15 g/mol
単同位体質量: 155.05824315

名称と識別子

優先名称: 5-Methyl-3-isoxazolepropionic acid
IUPAC: 3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
英語名: 3-Isoxazolepropanoicacid,5-methyl-(9CI)
分子式: C7H9NO3
分子量: 155.15

名称と別名

80073-32-15-Methyl-3-isoxazolepropionic acid3-Methyl-5-isoxazolepropionic acidDTXSID60230063RefChem:103142DTXCID601525543-(5-methyl-1,2-oxazol-3-yl)propanoic acid3-(5-methylisoxazol-3-yl)propanoic acid5-Methyl-3-isoxazolepropanoic acidMeIPA3-Isoxazolepropanoicacid, 5-methyl-3-Isoxazolepropanoic acid, 5-methyl-

名称をさらに表示

3-Isoxazolepropanoicacid,5-methyl-(9CI)

5(3)-Methyl-3(5)-isoxazolepropionic acidSCHEMBL9666458XSJUUJCTQWMNNG-UHFFFAOYSA-NFDA07332AKOS0225294413-(5-methylisoxazol-3-yl)propanoicacidEN300-637493Z1216839860

データベース識別子

CAS: 80073-32-1
PubChem CID: 133360
DTXSID: DTXSID60230063
EC Number: 899-839-0

物性

構造計算による物性

XLogP: 0.6
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: 11
形式電荷: 0
複雑度: 149

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.