ChemSpider 2D Image | 2,2'-[(3,4,5-Trimethoxyphenyl)methylene]bis(3-hydroxy-6-methyl-4H-pyran-4-one) | C22H22O9

2,2'-[(3,4,5-Trimethoxyphenyl)methylene]bis(3-hydroxy-6-methyl-4H-pyran-4-one)

  • Molecular FormulaC22H22O9
  • Average mass430.405 Da
  • Monoisotopic mass430.126373 Da
  • ChemSpider ID29770796

More details:






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

2,2'-[(3,4,5-Trimethoxyphenyl)methylen]bis(3-hydroxy-6-methyl-4H-pyran-4-on) [German] [ACD/IUPAC Name]
2,2'-[(3,4,5-Trimethoxyphenyl)methylene]bis(3-hydroxy-6-methyl-4H-pyran-4-one) [ACD/IUPAC Name]
2,2'-[(3,4,5-Triméthoxyphényl)méthylène]bis(3-hydroxy-6-méthyl-4H-pyran-4-one) [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,2'-[(3,4,5-trimethoxyphenyl)methylene]bis[3-hydroxy-6-methyl- [ACD/Index Name]
1435989-81-3 [RN]
3-hydroxy-2-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)-(3,4,5-trimethoxyphenyl)methyl]-6-methylpyran-4-one
MCULE-3379122739
MolPort-027-718-841

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

Density: 1.4±0.1 g/cm3
Boiling Point: 664.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 231.9±25.0 °C
Index of Refraction: 1.620
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 108.47
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.39
ACD/KOC (pH 7.4): 75.06
Polar Surface Area: 121 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

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