ChemSpider 2D Image | 2-ANHYDRO-3-FLUORO-QUINIC ACID | C7H9FO5

2-ANHYDRO-3-FLUORO-QUINIC ACID

  • Molecular FormulaC7H9FO5
  • Average mass192.142 Da
  • Monoisotopic mass192.043396 Da
  • ChemSpider ID26329820

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4R,5S)-3-Fluor-1,4,5-trihydroxy-2-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,4R,5S)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
2-ANHYDRO-3-FLUORO-QUINIC ACID
2-Cyclohexene-1-carboxylic acid, 3-fluoro-1,4,5-trihydroxy-, (1S,4R,5S)- [ACD/Index Name]
Acide (1S,4R,5S)-3-fluoro-1,4,5-trihydroxy-2-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
(1S,4R,5S)-3-fluoro-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 440.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±6.0 kJ/mol
Flash Point: 220.0±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 38.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -3.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 113.4±5.0 cm3

Click to predict properties on the Chemicalize site


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