ChemSpider 2D Image | 4-[5-(6-Acetyl-5-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)-2-furyl]benzoic acid | C22H16O7

4-[5-(6-Acetyl-5-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)-2-furyl]benzoic acid

  • Molecular FormulaC22H16O7
  • Average mass392.358 Da
  • Monoisotopic mass392.089600 Da
  • ChemSpider ID32511775

More details:






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

4-[5-(6-Acetyl-5-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)-2-furyl]benzoesäure [German] [ACD/IUPAC Name]
4-[5-(6-Acetyl-5-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)-2-furyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[5-(6-acétyl-5-hydroxy-2-oxo-3,4-dihydro-2H-chromén-4-yl)-2-furyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-(6-acetyl-3,4-dihydro-5-hydroxy-2-oxo-2H-1-benzopyran-4-yl)-2-furanyl]- [ACD/Index Name]
1630869-82-7 [RN]
4-(5-(6-acetyl-5-hydroxy-2-oxochroman-4-yl)furan-2-yl)benzoic acid
C22H16O7

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

Density: 1.4±0.1 g/cm3
Boiling Point: 557.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.7±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 75.68
ACD/KOC (pH 5.5): 323.08
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.08
ACD/KOC (pH 7.4): 8.89
Polar Surface Area: 114 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 278.6±3.0 cm3

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