ChemSpider 2D Image | 3-(3,4-Dihydroxyphenyl)-6,7,8-trihydroxy-2-oxo-2H-chromene-4-carbonitrile | C16H9NO7

3-(3,4-Dihydroxyphenyl)-6,7,8-trihydroxy-2-oxo-2H-chromene-4-carbonitrile

  • Molecular FormulaC16H9NO7
  • Average mass327.245 Da
  • Monoisotopic mass327.037903 Da
  • ChemSpider ID73947739

More details:

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

2H-1-Benzopyran-4-carbonitrile, 3-(3,4-dihydroxyphenyl)-6,7,8-trihydroxy-2-oxo- [ACD/Index Name]
3-(3,4-Dihydroxyphenyl)-6,7,8-trihydroxy-2-oxo-2H-chromen-4-carbonitril [German] [ACD/IUPAC Name]
3-(3,4-Dihydroxyphenyl)-6,7,8-trihydroxy-2-oxo-2H-chromene-4-carbonitrile [ACD/IUPAC Name]
3-(3,4-Dihydroxyphényl)-6,7,8-trihydroxy-2-oxo-2H-chromène-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 726.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 393.3±32.9 °C
Index of Refraction: 1.854
Molar Refractivity: 76.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 108.84
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.34
Polar Surface Area: 151 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 147.8±5.0 dyne/cm
Molar Volume: 171.4±5.0 cm3

Click to predict properties on the Chemicalize site


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