ChemSpider 2D Image | Propyl 4-({2-methyl-4-oxo-7-[2-(2-thienyl)acetoxy]-4H-chromen-3-yl}oxy)benzoate | C26H22O7S

Propyl 4-({2-methyl-4-oxo-7-[2-(2-thienyl)acetoxy]-4H-chromen-3-yl}oxy)benzoate

  • Molecular FormulaC26H22O7S
  • Average mass478.514 Da
  • Monoisotopic mass478.108612 Da
  • ChemSpider ID24549347

More details:

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

2-Thiopheneacetic acid, 2-methyl-4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-1-benzopyran-7-yl ester [ACD/Index Name]
4-({2-Méthyl-4-oxo-7-[2-(2-thiényl)acétoxy]-4H-chromén-3-yl}oxy)benzoate de propyle [French] [ACD/IUPAC Name]
Propyl 4-({2-methyl-4-oxo-7-[2-(2-thienyl)acetoxy]-4H-chromen-3-yl}oxy)benzoate [ACD/IUPAC Name]
Propyl-4-({2-methyl-4-oxo-7-[2-(2-thienyl)acetoxy]-4H-chromen-3-yl}oxy)benzoat [German] [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: 624.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.7±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 126.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11711.49
ACD/KOC (pH 5.5): 28438.15
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11711.49
ACD/KOC (pH 7.4): 28438.15
Polar Surface Area: 116 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 361.3±3.0 cm3

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