ChemSpider 2D Image | (1R,5S,6r)-2,4-Dioxo-3-oxabicyclo[3.1.0]hexane-6-carboxylic acid | C6H4O5

(1R,5S,6r)-2,4-Dioxo-3-oxabicyclo[3.1.0]hexane-6-carboxylic acid

  • Molecular FormulaC6H4O5
  • Average mass156.093 Da
  • Monoisotopic mass156.005875 Da
  • ChemSpider ID24191555

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5S,6r)-2,4-Dioxo-3-oxabicyclo[3.1.0]hexan-6-carbonsäure [German] [ACD/IUPAC Name]
(1R,5S,6r)-2,4-Dioxo-3-oxabicyclo[3.1.0]hexane-6-carboxylic acid [ACD/IUPAC Name]
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, 2,4-dioxo-, (1R,5S)- [ACD/Index Name]
Acide (1R,5S,6r)-2,4-dioxo-3-oxabicyclo[3.1.0]hexane-6-carboxylique [French] [ACD/IUPAC Name]
187681-87-4 [RN]
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, 2,4-dioxo-, (1α,5α,6α)- (9CI)

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

Density: 1.9±0.1 g/cm3
Boiling Point: 479.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.5±6.0 kJ/mol
Flash Point: 215.7±20.3 °C
Index of Refraction: 1.611
Molar Refractivity: 29.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.11
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 89.9±3.0 dyne/cm
Molar Volume: 83.8±3.0 cm3

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