ChemSpider 2D Image | 2,2-Dihydroxy-1-(5-nitro-2-furyl)ethanone | C6H5NO6

2,2-Dihydroxy-1-(5-nitro-2-furyl)ethanone

  • Molecular FormulaC6H5NO6
  • Average mass187.107 Da
  • Monoisotopic mass187.011688 Da
  • ChemSpider ID62096982

More details:

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

2,2-Dihydroxy-1-(5-nitro-2-furyl)ethanon [German] [ACD/IUPAC Name]
2,2-Dihydroxy-1-(5-nitro-2-furyl)ethanone [ACD/IUPAC Name]
2,2-Dihydroxy-1-(5-nitro-2-furyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2,2-dihydroxy-1-(5-nitro-2-furanyl)- [ACD/Index Name]
13038-61-4 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 313.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 143.3±26.5 °C
Index of Refraction: 1.604
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.26
Polar Surface Area: 116 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 80.8±3.0 dyne/cm
Molar Volume: 111.0±3.0 cm3

Click to predict properties on the Chemicalize site


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