ChemSpider 2D Image | Methyl 4-(2-methylphenyl)-2,4-dioxobutanoate | C12H12O4

Methyl 4-(2-methylphenyl)-2,4-dioxobutanoate

  • Molecular FormulaC12H12O4
  • Average mass220.221 Da
  • Monoisotopic mass220.073563 Da
  • ChemSpider ID24300827

More details:

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

4-(2-Méthylphényl)-2,4-dioxobutanoate de méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-methyl-α,γ-dioxo-, methyl ester [ACD/Index Name]
Methyl 4-(2-methylphenyl)-2,4-dioxobutanoate [ACD/IUPAC Name]
Methyl-4-(2-methylphenyl)-2,4-dioxobutanoat [German] [ACD/IUPAC Name]
(1H-indol-6-yl)methanol
1037130-77-0 [RN]
6-Hydroxymethylindole
Methyl 2,4-dioxo-4-(o-tolyl)butanoate
methyl 2,4-dioxo-4-o-tolylbutanoate
methyl-2,4-dioxo-4-o-tolylbutanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 350.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.6±3.0 kJ/mol
    Flash Point: 155.6±23.2 °C
    Index of Refraction: 1.518
    Molar Refractivity: 56.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): 1.62
    ACD/BCF (pH 5.5): 9.42
    ACD/KOC (pH 5.5): 162.76
    ACD/LogD (pH 7.4): 0.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.37
    Polar Surface Area: 60 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 42.8±3.0 dyne/cm
    Molar Volume: 187.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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