Methyl p-coumarate

HCID 92203CAS 3943-97-3

기본 정보

표준 SMILES: COC(=O)C=Cc1ccc(O)cc1
InChIKey: NITWSHWHQAQBAW-UHFFFAOYSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

개요

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

이름 및 식별자

우선 이름: Methyl p-coumarate
IUPAC: methyl 3-(4-hydroxyphenyl)prop-2-enoate

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 190

안전 및 규제

GHS 분류

GHS Classification · 4건

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.