ChemSpider 2D Image | (2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(3-nitrophenyl)acrylate | C25H15NO8

(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(3-nitrophenyl)acrylate

  • Molecular FormulaC25H15NO8
  • Average mass457.388 Da
  • Monoisotopic mass457.079773 Da
  • ChemSpider ID124437258

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Nitrophényl)acrylate de (2Z)-2-(1,3-benzodioxol-5-ylméthylène)-3-oxo-2,3-dihydro-1-benzofuran-6-yle [French] [ACD/IUPAC Name]
(2Z)-2-(1,3-Benzodioxol-5-ylmethylen)-3-oxo-2,3-dihydro-1-benzofuran-6-yl-(2E)-3-(3-nitrophenyl)acrylat [German] [ACD/IUPAC Name]
(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-(3-nitrophenyl)acrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-(3-nitrophenyl)-, (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-3-oxo-6-benzofuranyl ester, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 696.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 287.6±33.5 °C
Index of Refraction: 1.730
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1028.01
ACD/KOC (pH 5.5): 4984.10
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1028.01
ACD/KOC (pH 7.4): 4984.10
Polar Surface Area: 117 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 303.4±3.0 cm3

Click to predict properties on the Chemicalize site


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