ChemSpider 2D Image | (2E)-3-[3-(Adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]acrylic acid | C22H24N2O2

(2E)-3-[3-(Adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]acrylic acid

  • Molecular FormulaC22H24N2O2
  • Average mass348.438 Da
  • Monoisotopic mass348.183777 Da
  • ChemSpider ID21800585
  • Double-bond stereo - Double-bond stereo


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

(2E)-3-[1-phenyl-3-(tricyclo[3.3.1.13,7]dec-1-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
(2E)-3-[3-(Adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[3-(Adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
(2E)-3-[3-(adamantan-1-yl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
1173468-59-1 [RN]
2-Propenoic acid, 3-(1-phenyl-3-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-4-yl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-[3-(adamantan-1-yl)-1-phényl-1H-pyrazol-4-yl]acrylique [French] [ACD/IUPAC Name]
(2E)-3-[3-(1-adamantyl)-1-phenyl-1H-pyrazol-4-yl]acrylic acid
(2E)-3-[3-(1-Adamantyl)-1-phenyl-1H-pyrazol-4-yl]-acrylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD03030349 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 541.1±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.2±3.0 kJ/mol
    Flash Point: 281.0±26.8 °C
    Index of Refraction: 1.701
    Molar Refractivity: 100.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.65
    ACD/LogD (pH 5.5): 3.46
    ACD/BCF (pH 5.5): 121.66
    ACD/KOC (pH 5.5): 458.43
    ACD/LogD (pH 7.4): 1.69
    ACD/BCF (pH 7.4): 2.05
    ACD/KOC (pH 7.4): 7.71
    Polar Surface Area: 55 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 56.0±7.0 dyne/cm
    Molar Volume: 259.5±7.0 cm3

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