ChemSpider 2D Image | (3R)-2,2-Dimethyl-5-oxotetrahydro-3-furanyl 3,5-dinitrobenzoate | C13H12N2O8

(3R)-2,2-Dimethyl-5-oxotetrahydro-3-furanyl 3,5-dinitrobenzoate

  • Molecular FormulaC13H12N2O8
  • Average mass324.243 Da
  • Monoisotopic mass324.059357 Da
  • ChemSpider ID57472019

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-2,2-Dimethyl-5-oxotetrahydro-3-furanyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
(3R)-2,2-Dimethyl-5-oxotetrahydro-3-furanyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
2(3H)-Furanone, 4-[(3,5-dinitrobenzoyl)oxy]dihydro-5,5-dimethyl-, (4R)- [ACD/Index Name]
3,5-Dinitrobenzoate de (3R)-2,2-diméthyl-5-oxotétrahydro-3-furanyle [French] [ACD/IUPAC Name]
(3R)-2,2-Dimethyl-5-oxooxolan-3-yl 3,5-dinitrobenzoate
2(3H)-FURANONE, 4-[(3,5-DINITROBENZOYL)OXY]DIHYDRO-5,5-DIMETHYL-, (R)-
21860-28-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 513.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 231.7±32.1 °C
Index of Refraction: 1.588
Molar Refractivity: 72.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.14
ACD/KOC (pH 5.5): 127.60
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.14
ACD/KOC (pH 7.4): 127.60
Polar Surface Area: 144 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 216.7±5.0 cm3

Click to predict properties on the Chemicalize site


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