ChemSpider 2D Image | 3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one | C20H18O9

3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one

  • Molecular FormulaC20H18O9
  • Average mass402.352 Da
  • Monoisotopic mass402.095093 Da
  • ChemSpider ID30777546

More details:

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

3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one [ACD/IUPAC Name]
3-Hydroxy-5,7,8-triméthoxy-2-(7-méthoxy-1,3-benzodioxol-5-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)- [ACD/Index Name]
161697-25-2 [RN]
3-hydroxy-5,7,8-trimethoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4H-chromen-4-one
3-hydroxy-5,7,8-trimethoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)chromen-4-one
5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone

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: 1.4±0.1 g/cm3
Boiling Point: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 221.6±25.0 °C
Index of Refraction: 1.619
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.04
ACD/KOC (pH 5.5): 328.14
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 15.48
ACD/KOC (pH 7.4): 220.54
Polar Surface Area: 102 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 281.4±3.0 cm3

Click to predict properties on the Chemicalize site


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