ChemSpider 2D Image | 7-Hydroxy-3-(4-nitrobenzoyl)-2H-chromen-2-one | C16H9NO6

7-Hydroxy-3-(4-nitrobenzoyl)-2H-chromen-2-one

  • Molecular FormulaC16H9NO6
  • Average mass311.246 Da
  • Monoisotopic mass311.042999 Da
  • ChemSpider ID26358347

More details:

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

2H-1-Benzopyran-2-one, 7-hydroxy-3-(4-nitrobenzoyl)- [ACD/Index Name]
7-Hydroxy-3-(4-nitrobenzoyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Hydroxy-3-(4-nitrobenzoyl)-2H-chromen-2-one [ACD/IUPAC Name]
7-Hydroxy-3-(4-nitrobenzoyl)-2H-chromén-2-one [French] [ACD/IUPAC Name]
7-HYDROXY-3-(4-NITROBENZOYL)CHROMEN-2-ONE
7-hydroxy-3-(4-nitrobenzoyl)coumarin
902469-60-7 [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: 610.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 323.2±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.15
ACD/KOC (pH 5.5): 887.46
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 32.27
ACD/KOC (pH 7.4): 307.40
Polar Surface Area: 109 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 202.4±3.0 cm3

Click to predict properties on the Chemicalize site


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