ChemSpider 2D Image | 3,5,6-Trihydroxy-3-(3-hydroxy-4-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one | C18H18O8

3,5,6-Trihydroxy-3-(3-hydroxy-4-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O8
  • Average mass362.331 Da
  • Monoisotopic mass362.100159 Da
  • ChemSpider ID57641908

More details:






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

3,5,6-Trihydroxy-3-(3-hydroxy-4-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,6-Trihydroxy-3-(3-hydroxy-4-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3,5,6-Trihydroxy-3-(3-hydroxy-4-méthoxybenzyl)-7-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,6-trihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy- [ACD/Index Name]
1000888-68-5 [RN]
3,5,6-trihydroxy-7-methoxy-3-(3'-hydroxy-4'-methoxybenzyl)-4-chromanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 675.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 247.7±25.0 °C
Index of Refraction: 1.669
Molar Refractivity: 89.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.88
ACD/KOC (pH 5.5): 293.74
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 6.85
ACD/KOC (pH 7.4): 101.23
Polar Surface Area: 126 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 240.8±3.0 cm3

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