ChemSpider 2D Image | (3R,4S)-4-(2-Furyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione | C17H11NO6

(3R,4S)-4-(2-Furyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

  • Molecular FormulaC17H11NO6
  • Average mass325.272 Da
  • Monoisotopic mass325.058624 Da
  • ChemSpider ID32779637

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-(2-Furyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromen-5,10-dion [German] [ACD/IUPAC Name]
(3R,4S)-4-(2-Furyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromene-5,10-dione [ACD/IUPAC Name]
(3R,4S)-4-(2-Furyl)-3-nitro-3,4-dihydro-2H-benzo[g]chromène-5,10-dione [French] [ACD/IUPAC Name]
2H-Naphtho[2,3-b]pyran-5,10-dione, 4-(2-furanyl)-3,4-dihydro-3-nitro-, (3R,4S)- [ACD/Index 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: 537.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.8±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 30.67
ACD/KOC (pH 5.5): 280.13
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.98
Polar Surface Area: 102 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 215.3±5.0 cm3

Click to predict properties on the Chemicalize site


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