3-Methoxycinnamic Acid

HCID 637668CAS 17570-26-2

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기본 정보

표준 SMILES: COc1cccc(/C=C/C(=O)O)c1
InChIKey: LZPNXAULYJPXEH-AATRIKPKSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

개요

3-Methoxycinnamic acid is a hydroxycinnamic acid.

이름 및 식별자

우선 이름: 3-Methoxycinnamic Acid
IUPAC: (E)-3-(3-methoxyphenyl)prop-2-enoic acid
영어명: 3-METHOXYCINNAMIC ACID
분자식: C10H10O3
분자량: 178.18

이름 및 동의어

3-Methoxycinnamic acid6099-04-3(2E)-3-(3-methoxyphenyl)prop-2-enoic acid(E)-3-(3-methoxyphenyl)prop-2-enoic acidtrans-3-Methoxycinnamic acidNSC 5234EINECS 228-049-5DTXSID501035148RefChem:503247DTXCID201060704228-049-5861-306-5

이름 더 보기

Albb-006022AKOS B004084AKOS BBS-00006455RARECHEM BK HC T256O-METHYL-M-CUMARIC ACIDO-METHYL-M-COUMARIC ACIDMETA-METHOXY CINNAMMIC ACID(2E)-3-(3-Methoxyphenyl)acrylicaci

3-(3-Methoxyphenyl)acrylic acid17570-26-2(E)-3-(3-Methoxyphenyl)acrylic acidm-Methoxycinnamic acid(2E)-3-(3-methoxyphenyl)acrylic acid2-Propenoic acid, 3-(3-methoxyphenyl)-, (2E)-MFCD00004386(E)-3-methoxycinnamic acid

데이터베이스 식별자

CAS: 17570-26-2、6099-04-3
PubChem CID: 637668
DTXSID: DTXSID70875904
ChEMBL: CHEMBL95769
ChEBI: CHEBI:192607
EC Number: 228-049-5、861-306-5
Nikkaji: J135.441H、J149.324H

물성

구조 계산 물성

XLogP: 2.1
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: 198

실험 및 물리화학적 성질

LogP2.37

물리화학적 성질

녹는점: 116 · 116-119 °C(lit.)
끓는 점: 329.9 · 329.9±17.0 °C(Predicted)
밀도: 1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.38 · 4.38±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]