ChemSpider 2D Image | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid | C12H8F2O4

3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid

  • Molecular FormulaC12H8F2O4
  • Average mass254.186 Da
  • Monoisotopic mass254.039063 Da
  • ChemSpider ID22376696
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z,4E)-3-Fluor-6-(4-fluorphenyl)-2-hydroxy-6-oxo-2,4-hexadiensäure [German] [ACD/IUPAC Name]
(2Z,4E)-3-Fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxo-2,4-hexadienoic acid [ACD/IUPAC Name]
2,4-Hexadienoic acid, 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxo-, (2Z,4E)- [ACD/Index Name]
3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Acide (2Z,4E)-3-fluoro-6-(4-fluorophényl)-2-hydroxy-6-oxo-2,4-hexadiénoïque [French] [ACD/IUPAC Name]
(2Z,4E)-3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
C0E

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 361.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 172.4±27.9 °C
Index of Refraction: 1.573
Molar Refractivity: 57.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 175.6±3.0 cm3

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