ChemSpider 2D Image | 7-[3-(4-Acetyl-3-methoxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid | C28H32O9

7-[3-(4-Acetyl-3-methoxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID34216082

More details:

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

4H-1-Benzopyran-2-carboxylic acid, 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl- [ACD/Index Name]
7-[3-(4-Acetyl-3-methoxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromen-2-carbonsäure [German] [ACD/IUPAC Name]
7-[3-(4-Acetyl-3-methoxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-[3-(4-acétyl-3-méthoxy-2-propylphénoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 234.1±26.4 °C
Index of Refraction: 1.580
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.61
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 404.8±3.0 cm3

Click to predict properties on the Chemicalize site


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