ChemSpider 2D Image | (2E)-3-(2-Benzoyl-1-benzofuran-5-yl)-2-sulfanylacrylic acid | C18H12O4S

(2E)-3-(2-Benzoyl-1-benzofuran-5-yl)-2-sulfanylacrylic acid

  • Molecular FormulaC18H12O4S
  • Average mass324.350 Da
  • Monoisotopic mass324.045624 Da
  • ChemSpider ID102548520

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(2-Benzoyl-1-benzofuran-5-yl)-2-sulfanylacrylic acid [ACD/IUPAC Name]
(2E)-3-(2-Benzoyl-1-benzofuran-5-yl)-2-sulfanylacrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(2-benzoyl-5-benzofuranyl)-2-mercapto-, (2E)- [ACD/Index Name]
Acide (2E)-3-(2-benzoyl-1-benzofuran-5-yl)-2-sulfanylacrylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 541.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.4±30.1 °C
Index of Refraction: 1.710
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 3.78
ACD/KOC (pH 5.5): 24.30
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

Click to predict properties on the Chemicalize site


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