ChemSpider 2D Image | (1R,5S)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid | C6H8O3

(1R,5S)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid

  • Molecular FormulaC6H8O3
  • Average mass128.126 Da
  • Monoisotopic mass128.047348 Da
  • ChemSpider ID32802640

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,5S)-3-Oxabicyclo[3.1.0]hexan-6-carbonsäure [German] [ACD/IUPAC Name]
(1R,5S)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid [ACD/IUPAC Name]
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, (1R,5S)- [ACD/Index Name]
55780-88-6 [RN]
Acide (1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carboxylique [French] [ACD/IUPAC Name]
(1R,5S,6s)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid [ACD/IUPAC Name]
55685-58-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 281.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.2±6.0 kJ/mol
Flash Point: 126.5±18.9 °C
Index of Refraction: 1.548
Molar Refractivity: 28.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.11
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 90.8±3.0 cm3

Click to predict properties on the Chemicalize site


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