Found 22 results

Search term: MF = 'C_{21}H_{18}O_{7}S'
ChemSpider 2D Image | Methyl 4-(6-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}-2-oxo-2H-pyran-3-yl)benzoate | C21H18O7S

Methyl 4-(6-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}-2-oxo-2H-pyran-3-yl)benzoate

  • Molecular FormulaC21H18O7S
  • Average mass414.428 Da
  • Monoisotopic mass414.077332 Da
  • ChemSpider ID26996450

More details:

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

4-(6-Méthyl-4-{[(4-méthylphényl)sulfonyl]oxy}-2-oxo-2H-pyran-3-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[6-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]-2-oxo-2H-pyran-3-yl]-, methyl ester [ACD/Index Name]
Methyl 4-(6-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}-2-oxo-2H-pyran-3-yl)benzoate [ACD/IUPAC Name]
Methyl-4-(6-methyl-4-{[(4-methylphenyl)sulfonyl]oxy}-2-oxo-2H-pyran-3-yl)benzoat [German] [ACD/IUPAC Name]
Methyl 4-(6-methyl-2-oxo-4-(tosyloxy)-2H-pyran-3-yl)benzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.8±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 470.39
ACD/KOC (pH 5.5): 2848.05
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 470.39
ACD/KOC (pH 7.4): 2848.05
Polar Surface Area: 104 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 295.1±5.0 cm3

Click to predict properties on the Chemicalize site


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