ChemSpider 2D Image | Methyl [2-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxyphenyl]acetate | C18H19NO8S

Methyl [2-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxyphenyl]acetate

  • Molecular FormulaC18H19NO8S
  • Average mass409.410 Da
  • Monoisotopic mass409.083130 Da
  • ChemSpider ID30847096

More details:

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

[2-(1,3-Benzodioxol-5-ylsulfamoyl)-4,5-diméthoxyphényl]acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[(1,3-benzodioxol-5-ylamino)sulfonyl]-4,5-dimethoxy-, methyl ester [ACD/Index Name]
Methyl [2-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxyphenyl]acetate [ACD/IUPAC Name]
Methyl-[2-(1,3-benzodioxol-5-ylsulfamoyl)-4,5-dimethoxyphenyl]acetat [German] [ACD/IUPAC Name]
1797376-76-1 [RN]
Methyl 2-(2-((benzo[d]1,3-dioxolan-5-ylamino)sulfonyl)-4,5-dimethoxyphenyl)acetate
methyl 2-{2-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-4,5-dimethoxyphenyl}acetate
MFCD26794133 [MDL number]
MS-11454

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 557.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.34
ACD/KOC (pH 5.5): 796.34
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 71.96
ACD/KOC (pH 7.4): 722.31
Polar Surface Area: 118 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 290.5±3.0 cm3

Click to predict properties on the Chemicalize site


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