ChemSpider 2D Image | 2-[(2E)-1-Hydroxy-3-(5-nitro-2-furyl)-2-propen-1-ylidene]-1H-indene-1,3(2H)-dione | C16H9NO6

2-[(2E)-1-Hydroxy-3-(5-nitro-2-furyl)-2-propen-1-ylidene]-1H-indene-1,3(2H)-dione

  • Molecular FormulaC16H9NO6
  • Average mass311.246 Da
  • Monoisotopic mass311.042999 Da
  • ChemSpider ID22824445

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indene-1,3(2H)-dione, 2-[(2E)-1-hydroxy-3-(5-nitro-2-furanyl)-2-propen-1-ylidene]- [ACD/Index Name]
2-[(2E)-1-Hydroxy-3-(5-nitro-2-furyl)-2-propen-1-yliden]-1H-inden-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(2E)-1-Hydroxy-3-(5-nitro-2-furyl)-2-propen-1-ylidene]-1H-indene-1,3(2H)-dione [ACD/IUPAC Name]
2-[(2E)-1-Hydroxy-3-(5-nitro-2-furyl)-2-propén-1-ylidène]-1H-indène-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-[1-hydroxy-3-(5-nitro-2-furyl)-2-propen-1-ylidene]-1H-indene-1,3(2H)-dione

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

Density: 1.6±0.1 g/cm3
Boiling Point: 519.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 267.9±30.1 °C
Index of Refraction: 1.727
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 2.85
ACD/KOC (pH 5.5): 37.32
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 197.9±3.0 cm3

Click to predict properties on the Chemicalize site


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