ChemSpider 2D Image | Methyl (3,4,5-triethoxy-2-nitrophenyl)acetate | C15H21NO7

Methyl (3,4,5-triethoxy-2-nitrophenyl)acetate

  • Molecular FormulaC15H21NO7
  • Average mass327.330 Da
  • Monoisotopic mass327.131805 Da
  • ChemSpider ID21801793

More details:

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

(3,4,5-Triéthoxy-2-nitrophényl)acétate de méthyle [French] [ACD/IUPAC Name]
1142198-17-1 [RN]
Benzeneacetic acid, 3,4,5-triethoxy-2-nitro-, methyl ester [ACD/Index Name]
Methyl (3,4,5-triethoxy-2-nitrophenyl)acetate [ACD/IUPAC Name]
methyl 2-(3,4,5-triethoxy-2-nitrophenyl)acetate
Methyl-(3,4,5-triethoxy-2-nitrophenyl)acetat [German] [ACD/IUPAC Name]
methyl(3,4,5-triethoxy-2-nitrophenyl)acetate

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

MFCD12028481 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 447.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 176.1±29.3 °C
    Index of Refraction: 1.512
    Molar Refractivity: 82.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 2.76
    ACD/BCF (pH 5.5): 73.04
    ACD/KOC (pH 5.5): 750.86
    ACD/LogD (pH 7.4): 2.76
    ACD/BCF (pH 7.4): 73.04
    ACD/KOC (pH 7.4): 750.86
    Polar Surface Area: 100 Å2
    Polarizability: 32.8±0.5 10-24cm3
    Surface Tension: 40.0±3.0 dyne/cm
    Molar Volume: 275.6±3.0 cm3

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