ChemSpider 2D Image | 3-(3-(4-(2-Methoxyethoxy)phenyl)isoxazol-5-yl)benzoic acid | C19H17NO5

3-(3-(4-(2-Methoxyethoxy)phenyl)isoxazol-5-yl)benzoic acid

  • Molecular FormulaC19H17NO5
  • Average mass339.342 Da
  • Monoisotopic mass339.110687 Da
  • ChemSpider ID28534881

More details:

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

3-(3-(4-(2-Methoxyethoxy)phenyl)isoxazol-5-yl)benzoic acid
3-{3-[4-(2-Methoxyethoxy)phenyl]-1,2-oxazol-5-yl}benzoesäure [German] [ACD/IUPAC Name]
3-{3-[4-(2-Methoxyethoxy)phenyl]-1,2-oxazol-5-yl}benzoic acid [ACD/IUPAC Name]
745055-49-6 [RN]
Acide 3-{3-[4-(2-méthoxyéthoxy)phényl]-1,2-oxazol-5-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[3-[4-(2-methoxyethoxy)phenyl]-5-isoxazolyl]- [ACD/Index Name]
[745055-49-6] [RN]
MFCD23135475

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 580.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.4±3.0 kJ/mol
    Flash Point: 305.1±30.1 °C
    Index of Refraction: 1.580
    Molar Refractivity: 90.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.66
    ACD/LogD (pH 5.5): 2.28
    ACD/BCF (pH 5.5): 12.98
    ACD/KOC (pH 5.5): 76.09
    ACD/LogD (pH 7.4): 0.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.14
    Polar Surface Area: 82 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 271.9±3.0 cm3

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