ChemSpider 2D Image | 5-{[(1,3-Benzodioxol-5-ylsulfonyl)amino]methyl}-2-methyl-3-furoic acid | C14H13NO7S

5-{[(1,3-Benzodioxol-5-ylsulfonyl)amino]methyl}-2-methyl-3-furoic acid

  • Molecular FormulaC14H13NO7S
  • Average mass339.320 Da
  • Monoisotopic mass339.041260 Da
  • ChemSpider ID77434956

More details:

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

3-Furancarboxylic acid, 5-[[(1,3-benzodioxol-5-ylsulfonyl)amino]methyl]-2-methyl- [ACD/Index Name]
5-{[(1,3-Benzodioxol-5-ylsulfonyl)amino]methyl}-2-methyl-3-furoesäure [German] [ACD/IUPAC Name]
5-{[(1,3-Benzodioxol-5-ylsulfonyl)amino]methyl}-2-methyl-3-furoic acid [ACD/IUPAC Name]
Acide 5-{[(1,3-benzodioxol-5-ylsulfonyl)amino]méthyl}-2-méthyl-3-furoïque [French] [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: 561.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.1±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 17.96
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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