ChemSpider 2D Image | 5-[(~2~H_3_)Ethanoylamino]-2-hydroxybenzoic acid | C9H6D3NO4

5-[(2H3)Ethanoylamino]-2-hydroxybenzoic acid

  • Molecular FormulaC9H6D3NO4
  • Average mass198.191 Da
  • Monoisotopic mass198.071991 Da
  • ChemSpider ID23976244

  • Non-standard isotope - Non-standard isotope

More details:

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

5-[(2H3)Ethanoylamino]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[(2H3)Ethanoylamino]-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[(2H3)éthanoylamino]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-5-[(1-oxoethyl-2,2,2-d3)amino]- [ACD/Index Name]
2-hydroxy-5-[(2,2,2-trideuterioacetyl)amino]benzoic acid
51-59-2 [RN]
93968-79-7 [RN]
MFCD00463101 [MDL number]
MFCD09839833
N-Acetyl Mesalazine-d3

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 480.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 244.2±27.3 °C
    Index of Refraction: 1.661
    Molar Refractivity: 49.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): -1.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 71.5±3.0 dyne/cm
    Molar Volume: 133.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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