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

2-[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 ID32512380

More details:

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

2-[5-(6-Acetyl-5-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)-2-furyl]benzoesäure [German] [ACD/IUPAC Name]
2-[5-(6-Acetyl-5-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)-2-furyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[5-(6-acétyl-5-hydroxy-2-oxo-3,4-dihydro-2H-chromén-4-yl)-2-furyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[5-(6-acetyl-3,4-dihydro-5-hydroxy-2-oxo-2H-1-benzopyran-4-yl)-2-furanyl]- [ACD/Index Name]
1630823-50-5 [RN]
2-(5-(6-acetyl-5-hydroxy-2-oxochroman-4-yl)furan-2-yl)benzoic acid
2-[5-(6-acetyl-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)furan-2-yl]benzoic acid
MolPort-035-702-019

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 535.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.5±3.0 kJ/mol
    Flash Point: 277.8±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: 3.59
    ACD/LogD (pH 5.5): 2.34
    ACD/BCF (pH 5.5): 13.17
    ACD/KOC (pH 5.5): 68.37
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.74
    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

    Click to predict properties on the Chemicalize site


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