ChemSpider 2D Image | (2E)-4-Oxo(9,9,9-~2~H_3_)-2-nonenal | C9H11D3O2

(2E)-4-Oxo(9,9,9-2H3)-2-nonenal

  • Molecular FormulaC9H11D3O2
  • Average mass157.225 Da
  • Monoisotopic mass157.118210 Da
  • ChemSpider ID21467488
  • 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)-4-Oxo(9,9,9-2H3)-2-nonenal [ACD/IUPAC Name]
(2E)-4-Oxo(9,9,9-2H3)-2-nonenal [German] [ACD/IUPAC Name]
(2E)-4-Oxo(9,9,9-2H3)-2-nonénal [French] [ACD/IUPAC Name]
2-Nonenal-9,9,9-d3, 4-oxo-, (2E)- [ACD/Index Name]
(E)-9,9,9-trideuterio-4-oxonon-2-enal
1313400-91-7 [RN]
4-oxo 2-Nonenal-d3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 258.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 95.2±19.6 °C
Index of Refraction: 1.446
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.87
ACD/KOC (pH 5.5): 216.65
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.87
ACD/KOC (pH 7.4): 216.65
Polar Surface Area: 34 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 165.1±3.0 cm3

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