ChemSpider 2D Image | Dimethyl [(1R)-1-(2-furyl)-2-nitroethyl]malonate | C11H13NO7

Dimethyl [(1R)-1-(2-furyl)-2-nitroethyl]malonate

  • Molecular FormulaC11H13NO7
  • Average mass271.223 Da
  • Monoisotopic mass271.069214 Da
  • ChemSpider ID75550297

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R)-1-(2-Furyl)-2-nitroéthyl]malonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [(1R)-1-(2-furyl)-2-nitroethyl]malonate [ACD/IUPAC Name]
Dimethyl-[(1R)-1-(2-furyl)-2-nitroethyl]malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[(1R)-1-(2-furanyl)-2-nitroethyl]-, dimethyl 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: 365.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 174.5±27.9 °C
Index of Refraction: 1.495
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.88
ACD/KOC (pH 5.5): 138.11
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 4.61
ACD/KOC (pH 7.4): 92.70
Polar Surface Area: 112 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 208.4±3.0 cm3

Click to predict properties on the Chemicalize site


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