3-(2-Methoxy-5-methylphenyl)propanoic acid

HCID 585488CAS 61371-44-6

基本情報

標準SMILES: COc1ccc(C)cc1CCC(=O)O
InChIKey: KLVRTUOZJWPLSU-UHFFFAOYSA-N
分子式: C11H14O3
平均分子量: 194.23 g/mol

名称と識別子

優先名称: 3-(2-Methoxy-5-methylphenyl)propanoic acid
IUPAC: 3-(2-methoxy-5-methylphenyl)propanoic acid

名称と別名

3-(2-Methoxy-5-methylphenyl)propanoic acid61371-44-6CBMicro_0226512-methoxy-5-methyl-Benzenepropanoic acidSCHEMBL1209727SCHEMBL30873972MFCD06823838AKOS0114409593-(2-Methoxy-5-methylphenyl)propanoicacidDB-3240213-(2-Methoxy-5-methylphenyl)propionic acidCS-0345895

名称をさらに表示

3-(2-methoxy-5-methyl-phenyl)propanoic acid3-(2-methoxy-5-methylphenyl)-propionic acid3-(2-methoxy-5-methyl-phenyl)-propionic acid3-(2-Methoxy-5-methylphenyl)propanoic acid #EN300-222971Propanoic acid, 3-(2-methoxy-5-methylphenyl)-A1-21856

データベース識別子

CAS: 61371-44-6
PubChem CID: 585488
EC Number: 117-265-4

物性

構造計算による物性

XLogP: 2
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 191

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)