ChemSpider 2D Image | MFCD09752106 | C9H5D3O4

MFCD09752106

  • Molecular FormulaC9H5D3O4
  • Average mass183.176 Da
  • Monoisotopic mass183.061096 Da
  • ChemSpider ID24022402

  • Non-standard isotope - Non-standard isotope

More details:

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

[2H3]-Acetylsalicylic acid
[2H3]-Aspirin
2-[(2H3)Ethanoyloxy]benzoesäure [German] [ACD/IUPAC Name]
2-[(2H3)Ethanoyloxy]benzoic acid [ACD/IUPAC Name]
921943-73-9 [RN]
Acetylsalicylic acid-(methyl-d3)
Acide 2-[(2H3)éthanoyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(1-oxoethyl-2,2,2-d3)oxy]- [ACD/Index Name]
MFCD09752106
2-(2,2,2-trideuterioacetyl)oxybenzoic acid
More...

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

7F6Y89636M [DBID]
UNII:7F6Y89636M [DBID]
UNII-7F6Y89636M [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 321.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 131.2±16.7 °C
    Index of Refraction: 1.551
    Molar Refractivity: 44.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.19
    ACD/LogD (pH 5.5): -0.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.39
    ACD/LogD (pH 7.4): -1.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 139.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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