ChemSpider 2D Image | Methyl 4-[(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate | C17H12O7

Methyl 4-[(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate

  • Molecular FormulaC17H12O7
  • Average mass328.273 Da
  • Monoisotopic mass328.058289 Da
  • ChemSpider ID21834959

More details:

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

4-[(5,7-Dihydroxy-4-oxo-4H-chromén-3-yl)oxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy]-, methyl ester [ACD/Index Name]
Methyl 4-[(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoate [ACD/IUPAC Name]
Methyl-4-[(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy]benzoat [German] [ACD/IUPAC Name]
4-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yloxy)-benzoic acid methyl ester
methyl 4-((5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)benzoate
methyl 4-(5,7-dihydroxy-4-oxochromen-3-yloxy)benzoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 198.5±23.6 °C
Index of Refraction: 1.667
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 119.52
ACD/KOC (pH 5.5): 987.91
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 3.74
ACD/KOC (pH 7.4): 30.93
Polar Surface Area: 102 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 219.3±3.0 cm3

Click to predict properties on the Chemicalize site


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