ChemSpider 2D Image | 5-({[3-(Carboxymethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoic acid | C19H16O8

5-({[3-(Carboxymethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoic acid

  • Molecular FormulaC19H16O8
  • Average mass372.326 Da
  • Monoisotopic mass372.084503 Da
  • ChemSpider ID24601317

More details:

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

2H-1-Benzopyran-3-acetic acid, 7-[(5-carboxy-2-furanyl)methoxy]-4,8-dimethyl-2-oxo- [ACD/Index Name]
5-({[3-(Carboxymethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoesäure [German] [ACD/IUPAC Name]
5-({[3-(Carboxymethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoic acid [ACD/IUPAC Name]
Acide 5-({[3-(carboxyméthyl)-4,8-diméthyl-2-oxo-2H-chromén-7-yl]oxy}méthyl)-2-furoïque [French] [ACD/IUPAC Name]
1190289-48-5 [RN]
5-({[3-(carboxymethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)furan-2-carboxylic acid
5-[[3-(carboxymethyl)-4,8-dimethyl-2-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 650.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±3.0 kJ/mol
    Flash Point: 347.1±31.5 °C
    Index of Refraction: 1.609
    Molar Refractivity: 90.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): -0.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 123 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 59.7±3.0 dyne/cm
    Molar Volume: 261.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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