ChemSpider 2D Image | 5,7-Dihydroxy-2-{4-[(~2~H_3_)methyloxy]phenyl}-4H-chromen-4-one | C16H9D3O5

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

  • Molecular FormulaC16H9D3O5
  • Average mass287.282 Da
  • Monoisotopic mass287.087311 Da
  • ChemSpider ID34559574

  • 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-dihydroxy-2-[4-(methyl-d3-oxy)phenyl]- [ACD/Index Name]
5,7-Dihydroxy-2-{4-[(2H3)methyloxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-{4-[(2H3)methyloxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-{4-[(2H3)méthyloxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
Acacetin-d3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 198.3±23.6 °C
Index of Refraction: 1.669
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 130.45
ACD/KOC (pH 5.5): 1093.99
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 9.33
ACD/KOC (pH 7.4): 78.24
Polar Surface Area: 76 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 200.1±3.0 cm3

Click to predict properties on the Chemicalize site


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