ChemSpider 2D Image | Ethyl 2,4,6-trihydroxybenzoate | C9H10O5

Ethyl 2,4,6-trihydroxybenzoate

  • Molecular FormulaC9H10O5
  • Average mass198.173 Da
  • Monoisotopic mass198.052826 Da
  • ChemSpider ID26282429

More details:

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

2,4,6-Trihydroxybenzoate d'éthyle [French] [ACD/IUPAC Name]
90536-74-6 [RN]
Benzoic acid, 2,4,6-trihydroxy-, ethyl ester [ACD/Index Name]
Ethyl 2,4,6-trihydroxybenzoate [ACD/IUPAC Name]
Ethyl-2,4,6-trihydroxybenzoat [German] [ACD/IUPAC Name]
[90536-74-6] [RN]
2,4,6-trihydroxy-benzoic acid ethyl ester
2,4,6-Trihydroxybenzoic Acid Ethyl Ester
ETB
MFCD06204294

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 366.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 149.0±15.8 °C
    Index of Refraction: 1.611
    Molar Refractivity: 48.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 30.10
    ACD/KOC (pH 5.5): 397.68
    ACD/LogD (pH 7.4): 2.14
    ACD/BCF (pH 7.4): 23.27
    ACD/KOC (pH 7.4): 307.44
    Polar Surface Area: 87 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 66.3±3.0 dyne/cm
    Molar Volume: 139.1±3.0 cm3

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