ChemSpider 2D Image | 5-(1,3-Benzodioxol-5-ylcarbonyl)-2-furoic acid | C13H8O6

5-(1,3-Benzodioxol-5-ylcarbonyl)-2-furoic acid

  • Molecular FormulaC13H8O6
  • Average mass260.199 Da
  • Monoisotopic mass260.032074 Da
  • ChemSpider ID35486008

More details:

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

1399657-50-1 [RN]
2-Furancarboxylic acid, 5-(1,3-benzodioxol-5-ylcarbonyl)- [ACD/Index Name]
5-(1,3-Benzodioxol-5-ylcarbonyl)-2-furoesäure [German] [ACD/IUPAC Name]
5-(1,3-Benzodioxol-5-ylcarbonyl)-2-furoic acid [ACD/IUPAC Name]
5-(2H-1,3-benzodioxole-5-carbonyl)furan-2-carboxylic acid
Acide 5-(1,3-benzodioxol-5-ylcarbonyl)-2-furoïque [French] [ACD/IUPAC Name]
5-(1,3-benzodioxole-5-carbonyl)furan-2-carboxylic acid
5-(Benzo[1,3]dioxole-5-carbonyl)-furan-2-carboxylic acid
5-(Benzo[d][1,3]dioxole-5-carbonyl)furan-2-carboxylic acid
MFCD22421130

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 517.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 266.8±30.1 °C
    Index of Refraction: 1.624
    Molar Refractivity: 61.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.92
    ACD/LogD (pH 5.5): -1.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 86 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 67.2±3.0 dyne/cm
    Molar Volume: 174.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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