ChemSpider 2D Image | 7-[(~2~H_3_)Methyloxy]-3-{4-[(~2~H_3_)methyloxy]phenyl}-4H-chromen-4-one | C17H8D6O4

7-[(2H3)Methyloxy]-3-{4-[(2H3)methyloxy]phenyl}-4H-chromen-4-one

  • Molecular FormulaC17H8D6O4
  • Average mass288.328 Da
  • Monoisotopic mass288.126862 Da
  • ChemSpider ID129155755

  • Non-standard isotope - Non-standard isotope

More details:

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

4H-1-Benzopyran-4-one, 7-(methyl-d3-oxy)-3-[4-(methyl-d3-oxy)phenyl]- [ACD/Index Name]
7-[(2H3)Methyloxy]-3-{4-[(2H3)methyloxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-[(2H3)Methyloxy]-3-{4-[(2H3)methyloxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
7-[(2H3)Méthyloxy]-3-{4-[(2H3)méthyloxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 452.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 202.2±28.8 °C
Index of Refraction: 1.598
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.99
ACD/KOC (pH 5.5): 946.81
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.99
ACD/KOC (pH 7.4): 946.81
Polar Surface Area: 45 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 227.3±3.0 cm3

Click to predict properties on the Chemicalize site


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