ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yl)-8-methyl-4-quinolinecarboxylic acid | C18H13NO4

2-(1,3-Benzodioxol-5-yl)-8-methyl-4-quinolinecarboxylic acid

  • Molecular FormulaC18H13NO4
  • Average mass307.300 Da
  • Monoisotopic mass307.084473 Da
  • ChemSpider ID21329855

More details:

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

2-(1,3-Benzodioxol-5-yl)-8-methyl-4-chinolincarbonsäure [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-8-methyl-4-quinolinecarboxylic acid [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-8-methylquinoline-4-carboxylic acid
2-(2H-1,3-benzodioxol-5-yl)-8-methylquinoline-4-carboxylic acid
2-(Benzo[d][1,3]dioxol-5-yl)-8-methylquinoline-4-carboxylic acid
4-Quinolinecarboxylic acid, 2-(1,3-benzodioxol-5-yl)-8-methyl- [ACD/Index Name]
932796-11-7 [RN]
Acide 2-(1,3-benzodioxol-5-yl)-8-méthyl-4-quinoléinecarboxylique [French] [ACD/IUPAC Name]

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

MFCD03420050 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 524.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 84.1±3.0 kJ/mol
    Flash Point: 271.2±30.1 °C
    Index of Refraction: 1.688
    Molar Refractivity: 84.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.31
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 1.28
    ACD/KOC (pH 5.5): 7.93
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.99
    Polar Surface Area: 69 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 66.4±3.0 dyne/cm
    Molar Volume: 222.0±3.0 cm3

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