3,4-Methylenedioxycinnamic acid

HCID 643181CAS 38489-76-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)/C=C/c1ccc2c(c1)OCO2
InChIKey: QFQYZMGOKIROEC-DUXPYHPUSA-N
분자식: C10H8O4
평균 분자량: 192.17 g/mol
단동위원소 질량: 192.04225874

개요

Methylenedioxycinnamic acid is a hydroxycinnamic acid.

이름 및 식별자

우선 이름: 3,4-Methylenedioxycinnamic acid
IUPAC: (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
영어명: (2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid
분자식: C10H8O4
분자량: 192.17

이름 및 동의어

3,4-Methylenedioxycinnamic acid38489-76-83,4-(METHYLENEDIOXY)CINNAMIC ACIDX8H0WPJ08Y2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, (E)-3,4-METHYLENEDIOXYCINNAMIC ACID, (E)-3,4-METHYLENEDIOXYCINNAMIC ACID [WHO-DD](2E)-3-(1,3-dioxaindan-5-yl)prop-2-enoic acidNSC-5953RefChem:4864162Propenoic acid, 3(1,3benzodioxol5yl)3,4(Methylenedioxy)cinnamic acid, predominantly trans

이름 더 보기

(E)-3-(3,4-Methylenedioxyph(E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic Acid3,4-(Methylenedioxy)cinnamic acid, pred.trans(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid, 10 mM in DMSOBrombya platynema,(2E) 3 (1,3 Benzodioxol 5 yl) 2 propenoic acid,stem bark,inhibit,Endogenous Metabolite,Inhibitor,(2E)3(1,3Benzodioxol5yl)2propenoic acid

349541-65-7887-122-52373-80-03-(Benzo[d][1,3]dioxol-5-yl)acrylic acid(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid(E)-3,4-(Methylenedioxy)cinnamic acid(E)-3-(benzo[d][1,3]dioxol-5-yl)acrylic acid

데이터베이스 식별자

CAS: 38489-76-8
PubChem CID: 643181
DTXSID: DTXSID80901400
ChEMBL: CHEMBL1173153
ChEBI: CHEBI:81482
UNII: X8H0WPJ08Y
EC Number: 887-122-5
Nikkaji: J208.704I、J505.004I

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 249

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

LogP2.59

Vapor Pressure0.0000248 [mmHg]

Physical DescriptionCream to yellow powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 238 °C · 238 °C(Solv: acetic acid (64-19-7))
끓는 점: 361.5 · 361.5±11.0 °C(Predicted)
밀도: 1.41 · 1.410
저장 조건: -20 °C, · -20°C, protect from light
용해도: 에 용해됨디메틸설폭사이드
물리적 상태: 고체
산도 계수 (pKa): 4.37 · 4.37±0.10(Predicted)
색상: 회백색

화학적 성질

Off-white Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P273, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Cinnamic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

화학 및 산업

응용 분야

용도Substituted cinnamic and dihydrocinnamic acids show anti-inflammatory and analgesic activity, with cinnamic acids being more biologically active.

공급사33 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

湖北丹鼎医药科技有限公司17701422019 17701422019 · [email protected]

上海钰康生物科技有限公司18939844854 · [email protected]

United Life Science020-82099279 18988941402 · [email protected]

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