ChemSpider 2D Image | 2-{3-Hydroxy-4-[(~2~H_3_)methyloxy]phenyl}-5,6,7-trimethoxy-4H-chromen-4-one | C19H15D3O7

2-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}-5,6,7-trimethoxy-4H-chromen-4-one

  • Molecular FormulaC19H15D3O7
  • Average mass361.361 Da
  • Monoisotopic mass361.124084 Da
  • ChemSpider ID48063229
  • Non-standard isotope - Non-standard isotope


More details:






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

2-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}-5,6,7-trimethoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{3-Hydroxy-4-[(2H3)methyloxy]phenyl}-5,6,7-trimethoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-{3-Hydroxy-4-[(2H3)méthyloxy]phényl}-5,6,7-triméthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-hydroxy-4-(methyl-d3-oxy)phenyl]-5,6,7-trimethoxy- [ACD/Index Name]
1346599-39-0 [RN]
2-[3-hydroxy-4-(trideuteriomethoxy)phenyl]-5,6,7-trimethoxychromen-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 573.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 207.4±23.6 °C
Index of Refraction: 1.593
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.03
ACD/KOC (pH 5.5): 539.51
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.91
ACD/KOC (pH 7.4): 538.15
Polar Surface Area: 83 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 273.7±3.0 cm3

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