ChemSpider 2D Image | Methyl 4-(4-methyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl)benzoate | C21H16O6

Methyl 4-(4-methyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl)benzoate

  • Molecular FormulaC21H16O6
  • Average mass364.348 Da
  • Monoisotopic mass364.094696 Da
  • ChemSpider ID30717692

More details:






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

4-(4-Méthyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-10-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(9,10-dihydro-4-methyl-2,8-dioxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl)-, methyl ester [ACD/Index Name]
Methyl 4-(4-methyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl)benzoate [ACD/IUPAC Name]
Methyl-4-(4-methyl-2,8-dioxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl)benzoat [German] [ACD/IUPAC Name]
1574339-17-5 [RN]
c21h16o6
methyl 4-(4-methyl-2,8-dioxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-10-yl)benzoate
methyl 4-(4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)benzoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 518.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 228.4±30.2 °C
Index of Refraction: 1.614
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 244.33
ACD/KOC (pH 5.5): 1782.04
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 244.33
ACD/KOC (pH 7.4): 1782.04
Polar Surface Area: 79 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 271.5±3.0 cm3

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