ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-naphthoate | C28H18O6

3-(1,3-Benzodioxol-5-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-naphthoate

  • Molecular FormulaC28H18O6
  • Average mass450.439 Da
  • Monoisotopic mass450.110352 Da
  • ChemSpider ID124424359

More details:

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

1-Naphthalenecarboxylic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl ester [ACD/Index Name]
1-Naphtoate de 3-(1,3-benzodioxol-5-yl)-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-naphthoate [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-2-methyl-4-oxo-4H-chromen-7-yl-1-naphthoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 281.5±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8134.50
ACD/KOC (pH 5.5): 21908.13
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8134.50
ACD/KOC (pH 7.4): 21908.13
Polar Surface Area: 71 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

Click to predict properties on the Chemicalize site


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