ChemSpider 2D Image | Ethyl 3-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}benzoate | C19H17NO5

Ethyl 3-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}benzoate

  • Molecular FormulaC19H17NO5
  • Average mass339.342 Da
  • Monoisotopic mass339.110687 Da
  • ChemSpider ID128531478

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{[(2Z)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2Z)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-3-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}benzoat [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: 558.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 263.02
ACD/KOC (pH 5.5): 1878.59
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 263.02
ACD/KOC (pH 7.4): 1878.58
Polar Surface Area: 74 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 257.0±3.0 cm3

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