ChemSpider 2D Image | 5,7-Dimethoxy-2-{4-[(~2~H_3_)methyloxy]phenyl}-4H-chromen-4-one | C18H13D3O5

5,7-Dimethoxy-2-{4-[(2H3)methyloxy]phenyl}-4H-chromen-4-one

  • Molecular FormulaC18H13D3O5
  • Average mass315.335 Da
  • Monoisotopic mass315.118591 Da
  • ChemSpider ID114810563
  • Non-standard isotope - Non-standard isotope


More details:






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

4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-[4-(methyl-d3-oxy)phenyl]- [ACD/Index Name]
5,7-Dimethoxy-2-{4-[(2H3)methyloxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dimethoxy-2-{4-[(2H3)methyloxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Diméthoxy-2-{4-[(2H3)méthyloxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 506.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 225.5±30.2 °C
Index of Refraction: 1.585
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.27
ACD/KOC (pH 5.5): 1300.09
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.27
ACD/KOC (pH 7.4): 1300.09
Polar Surface Area: 54 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 251.3±3.0 cm3

Click to predict properties on the Chemicalize site






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