ChemSpider 2D Image | 2-(3-Butoxyphenyl)-6,8-dimethyl-4-quinolinecarboxylic acid | C22H23NO3

2-(3-Butoxyphenyl)-6,8-dimethyl-4-quinolinecarboxylic acid

  • Molecular FormulaC22H23NO3
  • Average mass349.423 Da
  • Monoisotopic mass349.167786 Da
  • ChemSpider ID21329861

More details:

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

2-(3-Butoxyphenyl)-6,8-dimethyl-4-chinolincarbonsäure [German] [ACD/IUPAC Name]
2-(3-Butoxyphenyl)-6,8-dimethyl-4-quinolinecarboxylic acid [ACD/IUPAC Name]
2-(3-Butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
4-Quinolinecarboxylic acid, 2-(3-butoxyphenyl)-6,8-dimethyl- [ACD/Index Name]
932841-33-3 [RN]
Acide 2-(3-butoxyphényl)-6,8-diméthyl-4-quinoléinecarboxylique [French] [ACD/IUPAC Name]
VS-14169

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

MFCD03420081 [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: 530.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.9±3.0 kJ/mol
    Flash Point: 274.9±30.1 °C
    Index of Refraction: 1.608
    Molar Refractivity: 103.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 6.27
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 68.12
    ACD/KOC (pH 5.5): 139.91
    ACD/LogD (pH 7.4): 2.89
    ACD/BCF (pH 7.4): 16.77
    ACD/KOC (pH 7.4): 34.45
    Polar Surface Area: 59 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 300.7±3.0 cm3

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