ChemSpider 2D Image | 2-(2,5-Dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one | C16H12O9

2-(2,5-Dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one

  • Molecular FormulaC16H12O9
  • Average mass348.261 Da
  • Monoisotopic mass348.048126 Da
  • ChemSpider ID74852594

More details:

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

2-(2,5-Dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(2,5-Dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one [ACD/IUPAC Name]
2-(2,5-Dihydroxy-4-méthoxyphényl)-3,5,6,7-tétrahydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,5-dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy- [ACD/Index Name]
2-(2,5-dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxychromen-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: 753.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 283.0±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: 2.14
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.46
ACD/KOC (pH 5.5): 135.98
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.14
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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