ChemSpider 2D Image | 3-(3-(((3,5-Dimethylisoxazol-4-yl)methoxy)methyl)-4-methoxyphenyl)acrylic acid | C17H19NO5

3-(3-(((3,5-Dimethylisoxazol-4-yl)methoxy)methyl)-4-methoxyphenyl)acrylic acid

  • Molecular FormulaC17H19NO5
  • Average mass317.336 Da
  • Monoisotopic mass317.126312 Da
  • ChemSpider ID21800422

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-{[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]methyl}-4-methoxyphenyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(3-{[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]methyl}-4-methoxyphenyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-(3-{[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methyl}-4-methoxyphenyl)prop-2-enoic acid
1119451-02-3 [RN]
2-Propenoic acid, 3-[3-[[(3,5-dimethyl-4-isoxazolyl)methoxy]methyl]-4-methoxyphenyl]-, (2E)- [ACD/Index Name]
3-(3-(((3,5-Dimethylisoxazol-4-yl)methoxy)methyl)-4-methoxyphenyl)acrylic acid
Acide (2E)-3-(3-{[(3,5-diméthyl-1,2-oxazol-4-yl)méthoxy]méthyl}-4-méthoxyphényl)acrylique [French] [ACD/IUPAC Name]
(2E)-3-(3-([(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]METHYL)-4-METHOXYPHENYL)ACRYLIC ACID
(2E)-3-(3-{[(3,5-dimethylisoxazol-4-yl)methoxy]methyl}-4-methoxyphenyl)acrylic acid
(2E)-3-(3-{[(3,5-Dimethylisoxazol-4-yl)methoxy]-methyl}-4-methoxyphenyl)acrylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12026938 [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: 502.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.3±3.0 kJ/mol
    Flash Point: 257.9±28.7 °C
    Index of Refraction: 1.584
    Molar Refractivity: 86.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 9.21
    ACD/KOC (pH 5.5): 89.75
    ACD/LogD (pH 7.4): 0.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.41
    Polar Surface Area: 82 Å2
    Polarizability: 34.2±0.5 10-24cm3
    Surface Tension: 48.8±3.0 dyne/cm
    Molar Volume: 257.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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