4-Methoxycinnamate methyl ester

HCID 92841CAS 832-01-9

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)C=Cc1ccc(OC)cc1
InChIKey: VEZIKIAGFYZTCI-UHFFFAOYSA-N
分子式: C11H12O3
平均分子量: 192.21 g/mol
単同位体質量: 192.07864424

概要

photobiologically active; structure given in first source

名称と識別子

優先名称: 4-Methoxycinnamate methyl ester
IUPAC: methyl 3-(4-methoxyphenyl)prop-2-enoate

名称と別名

4-Methoxycinnamate methyl ester2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl esterRefChem:996394-methoxymethyl cinnamate832-01-9Cinnamic acid, p-methoxy-, methyl estermethyl (E)-3-(4-methoxyphenyl)-2-propenoatep-MethoxymethylcinnamateEINECS 212-614-8NSC 26461methyl-p-methoxycinnamateSCHEMBL1397478

名称をさらに表示

METHYL-4-METHOXYCINNAMATEDB-075905

データベース識別子

CAS: 832-01-9
PubChem CID: 92841
DTXSID: DTXSID401312296
EC Number: 212-614-8

物性

構造計算による物性

XLogP: 2.6
極性表面積: 35.5 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: 14
形式電荷: 0
複雑度: 203

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.