ChemSpider 2D Image | 3-Hydroxy-2-(3-nitrophenyl)-4-oxo-4H-chromene-6-carboxylic acid | C16H9NO7

3-Hydroxy-2-(3-nitrophenyl)-4-oxo-4H-chromene-6-carboxylic acid

  • Molecular FormulaC16H9NO7
  • Average mass327.245 Da
  • Monoisotopic mass327.037903 Da
  • ChemSpider ID29272919

More details:

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

3-Hydroxy-2-(3-nitrophenyl)-4-oxo-4H-chromen-6-carbonsäure [German] [ACD/IUPAC Name]
3-Hydroxy-2-(3-nitrophenyl)-4-oxo-4H-chromene-6-carboxylic acid [ACD/IUPAC Name]
4H-1-Benzopyran-6-carboxylic acid, 3-hydroxy-2-(3-nitrophenyl)-4-oxo- [ACD/Index Name]
Acide 3-hydroxy-2-(3-nitrophényl)-4-oxo-4H-chromène-6-carboxylique [French] [ACD/IUPAC Name]
3-HYDROXY-2-(3-NITROPHENYL)-4-OXO-4H-CHROMEN-6-CARBOXYLIC ACID
6-CARBOXY-3'-NITROFLAVONOL

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

Density: 1.6±0.1 g/cm3
Boiling Point: 582.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.2±30.1 °C
Index of Refraction: 1.730
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.72
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 87.0±3.0 dyne/cm
Molar Volume: 198.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement