ChemSpider 2D Image | 3,5,7-Trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)-4H-chromen-4-one | C16H12O9

3,5,7-Trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)-4H-chromen-4-one

  • Molecular FormulaC16H12O9
  • Average mass348.261 Da
  • Monoisotopic mass348.048126 Da
  • ChemSpider ID74852939

More details:

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

3,5,7-Trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,7-Trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
3,5,7-Trihydroxy-6-méthoxy-2-(2,3,4-trihydroxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)- [ACD/Index Name]
3,5,7-trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 718.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 270.2±26.4 °C
Index of Refraction: 1.807
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 3.86
ACD/KOC (pH 5.5): 86.69
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.91
Polar Surface Area: 157 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 115.2±3.0 dyne/cm
Molar Volume: 190.4±3.0 cm3

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