ChemSpider 2D Image | (1R,4S,5R)-3-Oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid | C7H8O4

(1R,4S,5R)-3-Oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid

  • Molecular FormulaC7H8O4
  • Average mass156.136 Da
  • Monoisotopic mass156.042252 Da
  • ChemSpider ID114814930

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,4S,5R)-3-Oxo-2-oxabicyclo[2.2.1]heptan-5-carbonsäure [German] [ACD/IUPAC Name]
(1R,4S,5R)-3-Oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (1R,4S,5R)- [ACD/Index Name]
Acide (1R,4S,5R)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 422.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 186.1±20.3 °C
Index of Refraction: 1.552
Molar Refractivity: 33.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 105.0±3.0 cm3

Click to predict properties on the Chemicalize site


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