ChemSpider 2D Image | 4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one | C19H15NO7

4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

  • Molecular FormulaC19H15NO7
  • Average mass369.325 Da
  • Monoisotopic mass369.084839 Da
  • ChemSpider ID22547037

More details:

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

2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]- [ACD/Index Name]
4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one [ACD/IUPAC Name]
4,7-Dihydroxy-3-[1-(4-nitrophényl)-3-oxobutyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
19123-67-2 [RN]
4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-
4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one
4,7-dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
64180-12-7 [RN]
RAC 7-HYDROXY ACENOCOUMAROL

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.1±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 3.78
ACD/KOC (pH 5.5): 39.79
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 246.0±3.0 cm3

Click to predict properties on the Chemicalize site


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