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3,4-Methylenedioxycinnamic acid
(E)-3,4-(Methylenedioxy)cinnaMic Acid · (E)-3-(3,4-Methylenedioxyph · (E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic Acid · 3,4-(Methylenedioxy)cinnamic acid, pred.trans · (2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid · (2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid, 10 mM in DMSO · Brombya platynema,(2E) 3 (1,3 Benzodioxol 5 yl) 2 propenoic acid,stem bark,inhibit,Endogenous Metabolite,Inhibitor,(2E)3(1,3Benzodioxol5yl)2propenoic acid
Identifikatoren & physikalische Daten
| CAS No. | 38489-76-8 |
|---|---|
| Summenformel | C10H8O4 |
| Durchschnittliche Molmasse | 192,17 g/mol |
| Monoisotopische Masse | 192,04225874 g/mol |
| SMILES | O=C(O)/C=C/c1ccc2c(c1)OCO2 |
| InChIKey | QFQYZMGOKIROEC-DUXPYHPUSA-N |
| PubChem CID | 643181 |
| ChEMBL | CHEMBL1173153 |
| ChEBI | CHEBI:81482 |
| EC No. | 887-122-5 |
| DTXSID | DTXSID80901400 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 249 |
| Stoffklassen | Other Classes -> Organic Acids |
| LogP (Verteilungskoeffizient) | 2.59 |
| Dampfdruck | 0.0000248 [mmHg] |
| Physical Description | Cream to yellow powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 238 °C(Solv: acetic acid (64-19-7)) |
| Siedepunkt | 361.5±11.0 °C(Predicted) |
| Dichte | 1.410 |
| Lagerbedingungen | -20°C, protect from light |
| Löslichkeit | Dimethyl Sulfoxide |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.37±0.10(Predicted) |
| Farbe | Off-white |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Cinnamic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
Anwendungen & Verwendung
Verwenden
Substituted cinnamic and dihydrocinnamic acids show anti-inflammatory and analgesic activity, with cinnamic acids being more biologically active.