ChemSpider 2D Image | 4-[3-(METHOXYCARBONYL)-5-ISOXAZOLYL]BENZOIC ACID | C12H9NO5

4-[3-(METHOXYCARBONYL)-5-ISOXAZOLYL]BENZOIC ACID

  • Molecular FormulaC12H9NO5
  • Average mass247.204 Da
  • Monoisotopic mass247.048065 Da
  • ChemSpider ID28553675

More details:






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

1375064-52-0 [RN]
3-Isoxazolecarboxylic acid, 5-(4-carboxyphenyl)-, 3-methyl ester [ACD/Index Name]
4-[3-(Methoxycarbonyl)-1,2-oxazol-5-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[3-(Methoxycarbonyl)-1,2-oxazol-5-yl]benzoic acid [ACD/IUPAC Name]
4-[3-(METHOXYCARBONYL)-5-ISOXAZOLYL]BENZOIC ACID
Acide 4-[3-(méthoxycarbonyl)-1,2-oxazol-5-yl]benzoïque [French] [ACD/IUPAC Name]
[1375064-52-0] [RN]
1-cyclohexyl-5-(piperidin-1-ylmethyl)-1H-benzo[d]imidazol-2-amine
20780-74-9 [RN]
4-(3-(Methoxycarbonyl)isoxazol-5-yl)benzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 483.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.9±3.0 kJ/mol
    Flash Point: 246.4±27.3 °C
    Index of Refraction: 1.576
    Molar Refractivity: 59.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.78
    ACD/LogD (pH 7.4): -0.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 90 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 181.2±3.0 cm3

    Click to predict properties on the Chemicalize site






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