ChemSpider 2D Image | 6-(Benzyloxy)-1H-indole-3-carboxylic acid | C16H13NO3

6-(Benzyloxy)-1H-indole-3-carboxylic acid

  • Molecular FormulaC16H13NO3
  • Average mass267.279 Da
  • Monoisotopic mass267.089539 Da
  • ChemSpider ID24723543

More details:

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

1H-Indole-3-carboxylic acid, 6-(phenylmethoxy)- [ACD/Index Name]
24370-74-9 [RN]
6-(Benzyloxy)-1H-indol-3-carbonsäure [German] [ACD/IUPAC Name]
6-(Benzyloxy)-1H-indole-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-(benzyloxy)-1H-indole-3-carboxylique [French] [ACD/IUPAC Name]
[24370-74-9] [RN]
6-(Phenylmethoxy)-1H-indole-3-carboxylic acid
6-Benzyloxy-1H-indole-3-carboxylic acid
6-benzyloxy-1h-indole-3-carboxylicacid
MFCD17011804 [MDL number]

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

CCRIS 4693 [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: 531.1±35.0 °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: 275.0±25.9 °C
    Index of Refraction: 1.696
    Molar Refractivity: 76.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.50
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 19.33
    ACD/KOC (pH 5.5): 112.27
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.67
    Polar Surface Area: 62 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 63.3±3.0 dyne/cm
    Molar Volume: 199.1±3.0 cm3

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