ChemSpider 2D Image | 7-Hydroxy-3-{4-[(~2~H_3_)methyloxy]phenyl}-4H-chromen-4-one | C16H9D3O4

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

  • Molecular FormulaC16H9D3O4
  • Average mass271.283 Da
  • Monoisotopic mass271.092377 Da
  • ChemSpider ID123962997

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 183.4±22.2 °C
Index of Refraction: 1.641
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.45
ACD/KOC (pH 5.5): 993.92
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 31.73
ACD/KOC (pH 7.4): 288.18
Polar Surface Area: 56 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 201.7±3.0 cm3

Click to predict properties on the Chemicalize site


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