ChemSpider 2D Image | (1r,3r,5r,7r)-Adamantan-2-ylacetic acid | C12H18O2

(1r,3r,5r,7r)-Adamantan-2-ylacetic acid

  • Molecular FormulaC12H18O2
  • Average mass194.270 Da
  • Monoisotopic mass194.130676 Da
  • ChemSpider ID26327734

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1r,3r,5r,7r)-Adamantan-2-ylacetic acid [ACD/IUPAC Name]
(1r,3r,5r,7r)-Adamantan-2-ylessigsäure [German] [ACD/IUPAC Name]
Acide (1r,3r,5r,7r)-adamantan-2-ylacétique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-2-acetic acid [ACD/Index Name]
1-Adamantaneacetic acid
26082-22-4 [RN]
MFCD00193109 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 312.1±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.8±6.0 kJ/mol
Flash Point: 157.8±10.3 °C
Index of Refraction: 1.531
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 20.83
ACD/KOC (pH 5.5): 169.73
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.68
Polar Surface Area: 37 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 171.6±3.0 cm3

Click to predict properties on the Chemicalize site


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