ChemSpider 2D Image | 5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid | C7H9NO4

5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid

  • Molecular FormulaC7H9NO4
  • Average mass171.151 Da
  • Monoisotopic mass171.053162 Da
  • ChemSpider ID25991630

More details:

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

1108712-48-6 [RN]
4-Isoxazolecarboxylic acid, 5-(methoxymethyl)-3-methyl- [ACD/Index Name]
5-(Methoxymethyl)-3-methyl-1,2-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(Methoxymethyl)-3-methyl-1,2-oxazole-4-carboxylic acid [ACD/IUPAC Name]
5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid
Acide 5-(méthoxyméthyl)-3-méthyl-1,2-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
[1108712-48-6] [RN]
110871-24-4 [RN]
1108712-47-5 [RN]
3-(Cyclopentyloxy)isoxazole-5-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 301.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 136.0±26.5 °C
    Index of Refraction: 1.507
    Molar Refractivity: 39.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.05
    ACD/LogD (pH 5.5): -2.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 73 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 133.4±3.0 cm3

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