ChemSpider 2D Image | Methyl 5-hydroxy-1H-indole-3-carboxylate | C10H9NO3

Methyl 5-hydroxy-1H-indole-3-carboxylate

  • Molecular FormulaC10H9NO3
  • Average mass191.183 Da
  • Monoisotopic mass191.058243 Da
  • ChemSpider ID24688664

More details:

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

112332-96-4 [RN]
1H-Indole-3-carboxylic acid, 5-hydroxy-, methyl ester [ACD/Index Name]
5-Hydroxy-1H-indole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-hydroxy-1H-indole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-hydroxy-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
1H-INDOLE-3-CARBOXYLIC ACID,5-HYDROXY-,METHYL ESTER
5470-95-1 [RN]
5-hydroxy-1h-indole-3-carboxylic acid methyl ester
5-Hydroxy-3-1H-Indole carboxylic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL452622/
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 405.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 199.1±23.2 °C
    Index of Refraction: 1.679
    Molar Refractivity: 52.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.82
    ACD/KOC (pH 5.5): 203.86
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.65
    ACD/KOC (pH 7.4): 200.99
    Polar Surface Area: 62 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 63.8±3.0 dyne/cm
    Molar Volume: 138.2±3.0 cm3

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