ChemSpider 2D Image | Dimethyl 5-(1,3-benzodioxol-5-yl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)tetrahydro-3,4-furandicarboxylate | C25H24O12

Dimethyl 5-(1,3-benzodioxol-5-yl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)tetrahydro-3,4-furandicarboxylate

  • Molecular FormulaC25H24O12
  • Average mass516.451 Da
  • Monoisotopic mass516.126770 Da
  • ChemSpider ID19982384

More details:

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

3,4-Furandicarboxylic acid, 5-(1,3-benzodioxol-5-yl)tetrahydro-2-oxo-3-(3,4,5-trimethoxybenzoyl)-, dimethyl ester [ACD/Index Name]
5-(1,3-Benzodioxol-5-yl)-2-oxo-3-(3,4,5-triméthoxybenzoyl)tétrahydro-3,4-furanedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-(1,3-benzodioxol-5-yl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)tetrahydro-3,4-furandicarboxylate [ACD/IUPAC Name]
Dimethyl 5-(1,3-benzodioxol-5-yl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)tetrahydrofuran-3,4-dicarboxylate
Dimethyl-5-(1,3-benzodioxol-5-yl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)tetrahydro-3,4-furandicarboxylat [German] [ACD/IUPAC Name]
122860-98-4 [RN]
dimethyl 2,3,4,5-tetrahydro-5-(3,4-methylenedioxyphenyl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)-3,4-furandicarboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 287.5±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.32
ACD/KOC (pH 5.5): 481.98
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.32
ACD/KOC (pH 7.4): 481.98
Polar Surface Area: 142 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 374.3±3.0 cm3

Click to predict properties on the Chemicalize site


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