ChemSpider 2D Image | (1R,5S,6s)-3-Oxo-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid | C5H4O5

(1R,5S,6s)-3-Oxo-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid

  • Molecular FormulaC5H4O5
  • Average mass144.082 Da
  • Monoisotopic mass144.005875 Da
  • ChemSpider ID95504697

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5S,6s)-3-Oxo-2,4-dioxabicyclo[3.1.0]hexan-6-carbonsäure [German] [ACD/IUPAC Name]
(1R,5S,6s)-3-Oxo-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid [ACD/IUPAC Name]
2,4-Dioxabicyclo[3.1.0]hexane-6-carboxylic acid, 3-oxo-, (1R,5S)- [ACD/Index Name]
Acide (1R,5S,6s)-3-oxo-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylique [French] [ACD/IUPAC Name]
(1R,5S,6r)-3-Oxo-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid [ACD/IUPAC Name]
(1R,5S,6R)-3-oxo-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylicacid
2550996-83-1 [RN]
MFCD32874379

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

Density: 1.8±0.1 g/cm3
Boiling Point: 518.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.6±6.0 kJ/mol
Flash Point: 235.8±21.7 °C
Index of Refraction: 1.577
Molar Refractivity: 25.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -3.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 78.4±3.0 dyne/cm
Molar Volume: 78.3±3.0 cm3

Click to predict properties on the Chemicalize site


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