ChemSpider 2D Image | (2S,3R,4R)-2,3-Dimethyltricyclo[2.2.1.0~2,6~]heptane-3-carboxylic acid | C10H14O2

(2S,3R,4R)-2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID110547003

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2S,3R,4R)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-carbonsäure [German] [ACD/IUPAC Name]
(2S,3R,4R)-2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-carboxylic acid [ACD/IUPAC Name]
Tricyclo[2.2.1.02,6]heptane-3-carboxylic acid, 2,3-dimethyl-, (3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 263.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.1±6.0 kJ/mol
Flash Point: 123.0±13.1 °C
Index of Refraction: 1.578
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 11.92
ACD/KOC (pH 5.5): 141.29
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.51
Polar Surface Area: 37 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 131.7±3.0 cm3

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