ChemSpider 2D Image | (2E)-4,6-Dihydroxy-2-{3-hydroxy-4-[(~2~H_3_)methyloxy]benzylidene}-1-benzofuran-3(2H)-one | C16H9D3O6

(2E)-4,6-Dihydroxy-2-{3-hydroxy-4-[(2H3)methyloxy]benzylidene}-1-benzofuran-3(2H)-one

  • Molecular FormulaC16H9D3O6
  • Average mass303.281 Da
  • Monoisotopic mass303.082214 Da
  • ChemSpider ID111127143

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-4,6-Dihydroxy-2-{3-hydroxy-4-[(2H3)methyloxy]benzyliden}-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
(2E)-4,6-Dihydroxy-2-{3-hydroxy-4-[(2H3)methyloxy]benzylidene}-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
(2E)-4,6-Dihydroxy-2-{3-hydroxy-4-[(2H3)méthyloxy]benzylidène}-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
3(2H)-Benzofuranone, 4,6-dihydroxy-2-[[3-hydroxy-4-(methyl-d3-oxy)phenyl]methylene]-, (2E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 616.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 235.9±25.0 °C
Index of Refraction: 1.748
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.69
ACD/KOC (pH 5.5): 571.30
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 11.10
ACD/KOC (pH 7.4): 125.05
Polar Surface Area: 96 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 81.3±3.0 dyne/cm
Molar Volume: 193.1±3.0 cm3

Click to predict properties on the Chemicalize site


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