ChemSpider 2D Image | 3,5-Bis(carboxymethyl)-1-adamantanecarboxylic acid | C15H20O6

3,5-Bis(carboxymethyl)-1-adamantanecarboxylic acid

  • Molecular FormulaC15H20O6
  • Average mass296.316 Da
  • Monoisotopic mass296.125977 Da
  • ChemSpider ID26457869

More details:

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

3,5-Bis(carboxymethyl)-1-adamantancarbonsäure [German] [ACD/IUPAC Name]
3,5-Bis(carboxymethyl)-1-adamantanecarboxylic acid [ACD/IUPAC Name]
Acide 3,5-bis(carboxyméthyl)-1-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1,3-diacetic acid, 5-carboxy- [ACD/Index Name]
1338494-79-3 [RN]
3,5-bis(carboxymethyl)adamantane-1-carboxylic acid
3,5-bis(carboxy-methyl)adamantane-1-carboxylic acid
MFCD20441395 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 556.9±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 91.7±6.0 kJ/mol
    Flash Point: 304.6±16.9 °C
    Index of Refraction: 1.614
    Molar Refractivity: 69.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.75
    ACD/LogD (pH 5.5): -1.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 78.1±3.0 dyne/cm
    Molar Volume: 200.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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