ChemSpider 2D Image | Crotonic-4,4,4-d3 acid, 2-methyl-, (E)- | C5H5D3O2

Crotonic-4,4,4-d3 acid, 2-methyl-, (E)-

  • Molecular FormulaC5H5D3O2
  • Average mass103.134 Da
  • Monoisotopic mass103.071259 Da
  • ChemSpider ID23937262

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-2-Methyl(4,4,4-2H3)-2-butenoic acid [ACD/IUPAC Name]
(2E)-2-Methyl(4,4,4-2H3)-2-butensäure [German] [ACD/IUPAC Name]
19146-57-7 [RN]
2-Butenoic-4,4,4-d3 acid, 2-methyl-, (2E)- [ACD/Index Name]
Acide (2E)-2-méthyl(4,4,4-2H3)-2-buténoïque [French] [ACD/IUPAC Name]
Crotonic-4,4,4-d3 acid, 2-methyl-, (E)-
(E)-4,4,4-trideuterio-2-methylbut-2-enoic acid
Crotonic-4,4,4-d3 acid, 2-methyl-, (E)- (8CI)
TIGLIC ACID-D3

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 198.5±0.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 47.9±6.0 kJ/mol
    Flash Point: 95.9±9.6 °C
    Index of Refraction: 1.451
    Molar Refractivity: 26.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.52
    ACD/KOC (pH 5.5): 31.92
    ACD/LogD (pH 7.4): -1.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 10.6±0.5 10-24cm3
    Surface Tension: 32.3±3.0 dyne/cm
    Molar Volume: 99.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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