ChemSpider 2D Image | 7-Amino-4,5,6-trimethoxy-2-benzofuran-1(3H)-one | C11H13NO5

7-Amino-4,5,6-trimethoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC11H13NO5
  • Average mass239.225 Da
  • Monoisotopic mass239.079376 Da
  • ChemSpider ID22501152

More details:

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

1(3H)-Isobenzofuranone, 7-amino-4,5,6-trimethoxy- [ACD/Index Name]
7-amino-4,5,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one
7-Amino-4,5,6-trimethoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
7-Amino-4,5,6-trimethoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
7-Amino-4,5,6-triméthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
99856-51-6 [RN]
7-amino-4,5,6-trimethoxy-3H-2-benzofuran-1-one
7-Amino-4,5,6-trimethoxy-3H-isobenzofuran-1-one
7-amino-4,5,6-trimethoxy-3-hydroisobenzofuran-1-one
7-Amino-4,5,6-trimethoxyisobenzofuran-1(3H)-one
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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: 516.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.8±3.0 kJ/mol
    Flash Point: 301.9±26.4 °C
    Index of Refraction: 1.578
    Molar Refractivity: 59.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.49
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 3.70
    ACD/KOC (pH 5.5): 88.67
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 3.70
    ACD/KOC (pH 7.4): 88.82
    Polar Surface Area: 80 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 50.9±3.0 dyne/cm
    Molar Volume: 180.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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