ChemSpider 2D Image | (2E)-3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-(3-thienyl)-2-propen-1-one | C16H14O5S

(2E)-3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-(3-thienyl)-2-propen-1-one

  • Molecular FormulaC16H14O5S
  • Average mass318.344 Da
  • Monoisotopic mass318.056183 Da
  • ChemSpider ID22997161

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-(3-thienyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-(3-thienyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4,7-Diméthoxy-1,3-benzodioxol-5-yl)-1-(3-thiényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-1-(3-thienyl)prop-2-en-1-one
2-Propen-1-one, 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(3-thienyl)-, (2E)- [ACD/Index Name]
(2E)-3-(4,7-dimethoxy(2H-benzo[3,4-d]1,3-dioxolen-5-yl))-1-(3-thienyl)prop-2-en-1-one
(2E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(thiophen-3-yl)prop-2-en-1-one
3-(4,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-1-thiophen-3-yl-propenone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 474.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.9±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.76
ACD/KOC (pH 5.5): 626.80
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.76
ACD/KOC (pH 7.4): 626.80
Polar Surface Area: 82 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

Click to predict properties on the Chemicalize site


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