ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-2,5-dimethyl-3-furancarboxylic acid | C14H12O5

4-(1,3-Benzodioxol-5-yl)-2,5-dimethyl-3-furancarboxylic acid

  • Molecular FormulaC14H12O5
  • Average mass260.242 Da
  • Monoisotopic mass260.068481 Da
  • ChemSpider ID28943085

More details:

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

104794-31-2 [RN]
4-(1,3-Benzodioxol-5-yl)-2,5-dimethyl-3-furancarboxylic acid
4-(1,3-Benzodioxol-5-yl)-2,5-dimethyl-3-furoesäure [German] [ACD/IUPAC Name]
4-(2H-1,3-benzodioxol-5-yl)-2,5-dimethylfuran-3-carboxylic acid
Acide 4-(1,3-benzodioxol-5-yl)-2,5-diméthyl-3-furoïque [French] [ACD/IUPAC Name]
3-Furancarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2,5-dimethyl- [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-2,5-dimethyl-3-furoic acid [ACD/IUPAC Name]
4-(1,3-benzodioxol-5-yl)-2,5-dimethylfuran-3-carboxylic acid
4-(Benzo[d][1,3]dioxol-5-yl)-2,5-dimethylfuran-3-carboxylic acid
4-Benzo[1,3]dioxol-5-yl-2,5-dimethyl-furan-3-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 365.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 174.8±27.9 °C
    Index of Refraction: 1.595
    Molar Refractivity: 65.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.91
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 8.50
    ACD/KOC (pH 5.5): 79.53
    ACD/LogD (pH 7.4): 0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.75
    Polar Surface Area: 69 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 193.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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