ChemSpider 2D Image | 3-[1-Carboxy(2,2,2-~2~H_3_)ethyl]benzoic acid | C10H7D3O4

3-[1-Carboxy(2,2,2-2H3)ethyl]benzoic acid

  • Molecular FormulaC10H7D3O4
  • Average mass197.202 Da
  • Monoisotopic mass197.076736 Da
  • ChemSpider ID48059009

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[1-Carboxy(2,2,2-2H3)ethyl]benzoesäure [German] [ACD/IUPAC Name]
3-[1-Carboxy(2,2,2-2H3)ethyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[1-carboxy(2,2,2-2H3)éthyl]benzoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-carboxy-α-(methyl-d3)- [ACD/Index Name]
1330265-71-8 [RN]
3-(1-carboxy-2,2,2-trideuterioethyl)benzoic acid
3-(1-Carboxyethyl-2,2,2-d3)benzoic acid
3-carboxy-??-methylbenzeneacetic acid-d3
3-carboxy-α-methylbenzeneacetic acid-d3

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 393.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.9±3.0 kJ/mol
    Flash Point: 206.0±19.7 °C
    Index of Refraction: 1.582
    Molar Refractivity: 48.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): -0.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 58.9±3.0 dyne/cm
    Molar Volume: 146.7±3.0 cm3

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