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

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

  • Molecular FormulaC26H22O7S
  • Average mass478.514 Da
  • Monoisotopic mass478.108612 Da
  • ChemSpider ID124412215

More details:

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

2-Thiophenepropanoic acid, 4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-1-benzopyran-7-yl ester [ACD/Index Name]
4-[(4-Oxo-7-{[3-(2-thiényl)propanoyl]oxy}-4H-chromén-3-yl)oxy]benzoate de propyle [French] [ACD/IUPAC Name]
Propyl 4-[(4-oxo-7-{[3-(2-thienyl)propanoyl]oxy}-4H-chromen-3-yl)oxy]benzoate [ACD/IUPAC Name]
Propyl-4-[(4-oxo-7-{[3-(2-thienyl)propanoyl]oxy}-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: 628.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.6±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8487.97
ACD/KOC (pH 5.5): 22585.41
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8487.97
ACD/KOC (pH 7.4): 22585.41
Polar Surface Area: 116 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 359.8±3.0 cm3

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