ChemSpider 2D Image | Ethyl 5-({4-[(1E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy}methyl)-2-furoate | C27H25NO10

Ethyl 5-({4-[(1E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy}methyl)-2-furoate

  • Molecular FormulaC27H25NO10
  • Average mass523.488 Da
  • Monoisotopic mass523.147827 Da
  • ChemSpider ID126696247

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Furancarboxylic acid, 5-[[4-[(1E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy]methyl]-, ethyl ester [ACD/Index Name]
5-({4-[(1E)-3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-oxo-1-propén-1-yl]-2-éthoxy-6-nitrophénoxy}méthyl)-2-furoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-({4-[(1E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy}methyl)-2-furoate [ACD/IUPAC Name]
Ethyl-5-({4-[(1E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy}methyl)-2-furoat [German] [ACD/IUPAC 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: 717.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1231.17
ACD/KOC (pH 5.5): 5670.85
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1231.17
ACD/KOC (pH 7.4): 5670.85
Polar Surface Area: 139 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 393.0±3.0 cm3

Click to predict properties on the Chemicalize site


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