ChemSpider 2D Image | (2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1-naphthoate | C28H18O6

(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1-naphthoate

  • Molecular FormulaC28H18O6
  • Average mass450.439 Da
  • Monoisotopic mass450.110352 Da
  • ChemSpider ID124423799

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(1,3-Benzodioxol-5-ylmethylen)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl-1-naphthoat [German] [ACD/IUPAC Name]
(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1-naphthoate [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-4-methyl-3-oxo-6-benzofuranyl ester [ACD/Index Name]
1-Naphtoate de (2Z)-2-(1,3-benzodioxol-5-ylméthylène)-4-méthyl-3-oxo-2,3-dihydro-1-benzofuran-6-yle [French] [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: 668.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 288.4±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7510.73
ACD/KOC (pH 5.5): 20692.07
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7510.73
ACD/KOC (pH 7.4): 20692.07
Polar Surface Area: 71 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 318.8±3.0 cm3

Click to predict properties on the Chemicalize site


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