ChemSpider 2D Image | Methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate | C29H23NO9

Methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate

  • Molecular FormulaC29H23NO9
  • Average mass529.494 Da
  • Monoisotopic mass529.137268 Da
  • ChemSpider ID118352294

More details:

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

4-[1-(1,3-Benzodioxol-5-ylméthyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-(1,3-benzodioxol-5-ylmethyl)-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-2-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoat [German] [ACD/IUPAC 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: 763.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.4±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 23.92
ACD/KOC (pH 5.5): 171.01
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.95
Polar Surface Area: 121 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

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