ChemSpider 2D Image | (2Z)-4-Methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(2-thienyl)acrylate | C26H22O7S

(2Z)-4-Methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(2-thienyl)acrylate

  • Molecular FormulaC26H22O7S
  • Average mass478.514 Da
  • Monoisotopic mass478.108612 Da
  • ChemSpider ID124408036

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-3-(2-Thiényl)acrylate de (2Z)-4-méthyl-3-oxo-2-(3,4,5-triméthoxybenzylidène)-2,3-dihydro-1-benzofuran-6-yle [French] [ACD/IUPAC Name]
(2Z)-4-Methyl-3-oxo-2-(3,4,5-trimethoxybenzyliden)-2,3-dihydro-1-benzofuran-6-yl-(2E)-3-(2-thienyl)acrylat [German] [ACD/IUPAC Name]
(2Z)-4-Methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(2-thienyl)acrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-(2-thienyl)-, (2Z)-2,3-dihydro-4-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]-6-benzofuranyl ester, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.0±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1255.45
ACD/KOC (pH 5.5): 5750.70
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1255.45
ACD/KOC (pH 7.4): 5750.70
Polar Surface Area: 109 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 358.1±3.0 cm3

Click to predict properties on the Chemicalize site


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