ChemSpider 2D Image | 3-{4-[1-Carboxy(2,2,2-~2~H_3_)ethyl]phenyl}-2-methylpropanoic acid | C13H13D3O4

3-{4-[1-Carboxy(2,2,2-2H3)ethyl]phenyl}-2-methylpropanoic acid

  • Molecular FormulaC13H13D3O4
  • Average mass239.282 Da
  • Monoisotopic mass239.123688 Da
  • ChemSpider ID48060987

  • Non-standard isotope - Non-standard isotope

More details:

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

3-{4-[1-Carboxy(2,2,2-2H3)ethyl]phenyl}-2-methylpropanoic acid [ACD/IUPAC Name]
3-{4-[1-Carboxy(2,2,2-2H3)ethyl]phenyl}-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[1-carboxy(2,2,2-2H3)éthyl]phényl}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-(1-carboxyethyl-2,2,2-d3)-α-methyl- [ACD/Index Name]
1216505-29-1 [RN]
3-[4-(1-carboxy-2,2,2-trideuterioethyl)phenyl]-2-methylpropanoic acid
Ibuprofen Carboxylic Acid-d3 (Mixture of Diastereomers)

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 416.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 219.7±19.7 °C
    Index of Refraction: 1.552
    Molar Refractivity: 62.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.21
    ACD/LogD (pH 7.4): -2.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 50.4±3.0 dyne/cm
    Molar Volume: 195.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement