ChemSpider 2D Image | Methyl (2Z)-2-{[(~2~H_3_)methyloxy]imino}-3-oxobutanoate | C6H6D3NO4

Methyl (2Z)-2-{[(2H3)methyloxy]imino}-3-oxobutanoate

  • Molecular FormulaC6H6D3NO4
  • Average mass162.158 Da
  • Monoisotopic mass162.071991 Da
  • ChemSpider ID48061998

  • 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

(2Z)-2-{[(2H3)Méthyloxy]imino}-3-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[(methyl-d3-oxy)imino]-3-oxo-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-2-{[(2H3)methyloxy]imino}-3-oxobutanoate [ACD/IUPAC Name]
Methyl-(2Z)-2-{[(2H3)methyloxy]imino}-3-oxobutanoat [German] [ACD/IUPAC Name]
1331636-65-7 [RN]
methyl (2Z)-3-oxo-2-(trideuteriomethoxyimino)butanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 198.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.4±3.0 kJ/mol
Flash Point: 78.2±17.1 °C
Index of Refraction: 1.449
Molar Refractivity: 37.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 35.92
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 35.92
Polar Surface Area: 65 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 33.2±7.0 dyne/cm
Molar Volume: 138.7±7.0 cm3

Click to predict properties on the Chemicalize site


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