ChemSpider 2D Image | Methyl (2,3,5-trimethyl-4,6-dinitrophenoxy)acetate | C12H14N2O7

Methyl (2,3,5-trimethyl-4,6-dinitrophenoxy)acetate

  • Molecular FormulaC12H14N2O7
  • Average mass298.249 Da
  • Monoisotopic mass298.080109 Da
  • ChemSpider ID23080880

More details:

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

(2,3,5-Triméthyl-4,6-dinitrophénoxy)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-(2,3,5-trimethyl-4,6-dinitrophenoxy)-, methyl ester [ACD/Index Name]
Methyl (2,3,5-trimethyl-4,6-dinitrophenoxy)acetate [ACD/IUPAC Name]
Methyl-(2,3,5-trimethyl-4,6-dinitrophenoxy)acetat [German] [ACD/IUPAC Name]
(2,3,5-Trimethyl-4,6-dinitro-phenoxy)-acetic acid methyl ester
1170938-71-2 [RN]
acetic acid, (2,3,5-trimethyl-4,6-dinitrophenoxy), methyl ester
acetic acid, (2,3,5-trimethyl-4,6-dinitrophenoxy)-, methyl ester
methyl 2-(2,3,5-trimethyl-4,6-dinitrophenoxy)acetate
MFCD12972303 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 456.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.7±3.0 kJ/mol
    Flash Point: 200.7±29.3 °C
    Index of Refraction: 1.556
    Molar Refractivity: 71.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 2.52
    ACD/BCF (pH 5.5): 48.03
    ACD/KOC (pH 5.5): 556.24
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 48.03
    ACD/KOC (pH 7.4): 556.24
    Polar Surface Area: 127 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 222.4±3.0 cm3

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