Methyl p-coumarate

HCID 92203CAS 3943-97-3

基本情報

標準SMILES: COC(=O)C=Cc1ccc(O)cc1
InChIKey: NITWSHWHQAQBAW-UHFFFAOYSA-N
分子式: C10H10O3
平均分子量: 178.18 g/mol
単同位体質量: 178.06299418

概要

methyl hydroxycinnamate has been reported in Alpinia blepharocalyx, Gmelina asiatica, and other organisms with data available.

名称と識別子

優先名称: Methyl p-coumarate
IUPAC: methyl 3-(4-hydroxyphenyl)prop-2-enoate

名称と別名

3943-97-3methyl 3-(4-hydroxyphenyl)prop-2-enoateP9G2H2437Dp-Hydroxycinnamic acid methyl esterDTXSID1013158774-Coumaric acid methyl esterNSC-154578RefChem:925733para-coumaric acid methyl esterDTXCID801745760223-531-1CHEBI:86904

名称をさらに表示

Methyl 3-(4-Hydroxyphenyl)Acrylatemethyl 4-coumarateMethyl p-coumaratep-coumaric acid methyl ester2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester3-(4-Hydroxyphenyl)-2-propenoic Acid Methyl EsterNSC 154578trans-4-Hydroxycinnamic Acid Methyl Ester

データベース識別子

CAS: 3943-97-3
PubChem CID: 92203
DTXSID: DTXSID101315877
UNII: P9G2H2437D
EC Number: 223-531-1

物性

構造計算による物性

XLogP: 2.3
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: 3
重原子数: 13
形式電荷: 0
複雑度: 190

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (98.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.