ChemSpider 2D Image | [(2Z)-2-(4-Isopropylbenzylidene)-7-(4-methoxyphenyl)-3-oxo-2,3-dihydrofuro[2,3-e][1]benzofuran-8-yl]acetic acid | C29H24O6

[(2Z)-2-(4-Isopropylbenzylidene)-7-(4-methoxyphenyl)-3-oxo-2,3-dihydrofuro[2,3-e][1]benzofuran-8-yl]acetic acid

  • Molecular FormulaC29H24O6
  • Average mass468.497 Da
  • Monoisotopic mass468.157288 Da
  • ChemSpider ID81417833
  • Double-bond stereo - Double-bond stereo


More details:






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

[(2Z)-2-(4-Isopropylbenzyliden)-7-(4-methoxyphenyl)-3-oxo-2,3-dihydrofuro[2,3-e][1]benzofuran-8-yl]essigsäure [German] [ACD/IUPAC Name]
[(2Z)-2-(4-Isopropylbenzylidene)-7-(4-methoxyphenyl)-3-oxo-2,3-dihydrofuro[2,3-e][1]benzofuran-8-yl]acetic acid [ACD/IUPAC Name]
Acide [(2Z)-2-(4-isopropylbenzylidène)-7-(4-méthoxyphényl)-3-oxo-2,3-dihydrofuro[2,3-e][1]benzofuran-8-yl]acétique [French] [ACD/IUPAC Name]
Benzo[1,2-b:3,4-b']difuran-8-acetic acid, 2,3-dihydro-7-(4-methoxyphenyl)-2-[[4-(1-methylethyl)phenyl]methylene]-3-oxo-, (2Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 684.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.5±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 303.11
ACD/KOC (pH 5.5): 667.10
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 6.79
ACD/KOC (pH 7.4): 14.95
Polar Surface Area: 86 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 357.6±3.0 cm3

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