ChemSpider 2D Image | 3-(4-Morpholinylsulfonyl)benzyl 2,4,5-trimethoxybenzoate | C21H25NO8S

3-(4-Morpholinylsulfonyl)benzyl 2,4,5-trimethoxybenzoate

  • Molecular FormulaC21H25NO8S
  • Average mass451.490 Da
  • Monoisotopic mass451.130096 Da
  • ChemSpider ID22365860

More details:

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

2,4,5-Triméthoxybenzoate de 3-(4-morpholinylsulfonyl)benzyle [French] [ACD/IUPAC Name]
3-(4-Morpholinylsulfonyl)benzyl 2,4,5-trimethoxybenzoate [ACD/IUPAC Name]
3-(4-Morpholinylsulfonyl)benzyl-2,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2,4,5-trimethoxy-, [3-(4-morpholinylsulfonyl)phenyl]methyl ester [ACD/Index 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: 633.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.1±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.77
ACD/KOC (pH 5.5): 528.93
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.77
ACD/KOC (pH 7.4): 528.93
Polar Surface Area: 109 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

Click to predict properties on the Chemicalize site


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