ChemSpider 2D Image | (5S,7S)-3-Hydroxy-1-adamantanecarboxylic acid | C11H16O3

(5S,7S)-3-Hydroxy-1-adamantanecarboxylic acid

  • Molecular FormulaC11H16O3
  • Average mass196.243 Da
  • Monoisotopic mass196.109940 Da
  • ChemSpider ID110550890

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5S,7S)-3-Hydroxy-1-adamantancarbonsäure [German] [ACD/IUPAC Name]
(5S,7S)-3-Hydroxy-1-adamantanecarboxylic acid [ACD/IUPAC Name]
Acide (5S,7S)-3-hydroxy-1-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-hydroxy-, (5S,7S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 357.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 184.0±19.7 °C
Index of Refraction: 1.639
Molar Refractivity: 49.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.85
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 138.2±3.0 cm3

Click to predict properties on the Chemicalize site


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