ChemSpider 2D Image | 7-Hydroxy-6,8-diiodo-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | C10H9I2NO3

7-Hydroxy-6,8-diiodo-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

  • Molecular FormulaC10H9I2NO3
  • Average mass444.992 Da
  • Monoisotopic mass444.867157 Da
  • ChemSpider ID28536615

More details:

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

160080-87-5 [RN]
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-hydroxy-6,8-diiodo- [ACD/Index Name]
7-Hydroxy-6,8-diiod-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
7-Hydroxy-6,8-diiodo-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
7-Hydroxy-6,8-diiodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Acide 7-hydroxy-6,8-diiodo-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
[160080-87-5] [RN]
7-Hydroxy-6,8-diiodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
D-7-hydroxy-6,8-diiodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
MFCD22493438 [MDL number]

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

    Density: 2.4±0.1 g/cm3
    Boiling Point: 446.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±3.0 kJ/mol
    Flash Point: 224.0±28.7 °C
    Index of Refraction: 1.741
    Molar Refractivity: 75.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): -0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.61
    ACD/LogD (pH 7.4): -0.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 70 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 71.5±3.0 dyne/cm
    Molar Volume: 187.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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