ChemSpider 2D Image | 2-Hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)benzoic acid | C29H36O9

2-Hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)benzoic acid

  • Molecular FormulaC29H36O9
  • Average mass528.591 Da
  • Monoisotopic mass528.235962 Da
  • ChemSpider ID9181115

More details:

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

2-Hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)benzoic acid
2-Hydroxy-4-{[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-6-(2-oxoheptyl)benzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-4-{[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-6-(2-oxoheptyl)benzoic acid [ACD/IUPAC Name]
491-46-3 [RN]
Acide 2-hydroxy-4-{[2-hydroxy-4-méthoxy-6-(2-oxoheptyl)benzoyl]oxy}-6-(2-oxoheptyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy]-6-(2-oxoheptyl)- [ACD/Index 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: 698.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 224.1±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 65.52
ACD/KOC (pH 5.5): 92.81
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 22.06
ACD/KOC (pH 7.4): 31.24
Polar Surface Area: 147 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 431.2±3.0 cm3

Click to predict properties on the Chemicalize site


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