ChemSpider 2D Image | Methyl 3-(4,5-dimethoxy-2-nitrophenyl)-3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate | C20H20N2O10

Methyl 3-(4,5-dimethoxy-2-nitrophenyl)-3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate

  • Molecular FormulaC20H20N2O10
  • Average mass448.380 Da
  • Monoisotopic mass448.111786 Da
  • ChemSpider ID28635759

More details:

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

1,4-Benzodioxin-6-propanoic acid, β-(4,5-dimethoxy-2-nitrophenyl)-2,3-dihydro-7-nitro-, methyl ester [ACD/Index Name]
3-(4,5-Diméthoxy-2-nitrophényl)-3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4,5-dimethoxy-2-nitrophenyl)-3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4,5-dimethoxy-2-nitrophenyl)-3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoat [German] [ACD/IUPAC Name]
1370049-01-6 [RN]
3-(4,5-Dimethoxy-2-nitro-phenyl)-3-(7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-propionic acid methyl ester
methyl 3-(4,5-dimethoxy-2-nitrophenyl)-3-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate
methyl 3-(4,5-dimethoxy-2-nitrophenyl)-3-(7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanoate
MFCD26099076

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 637.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.2±3.0 kJ/mol
    Flash Point: 258.1±33.5 °C
    Index of Refraction: 1.586
    Molar Refractivity: 108.5±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.57
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 137.54
    ACD/KOC (pH 5.5): 1181.11
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 137.54
    ACD/KOC (pH 7.4): 1181.11
    Polar Surface Area: 155 Å2
    Polarizability: 43.0±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 323.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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