ChemSpider 2D Image | (2Z,4E)-3-Chloro-2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid | C12H9ClO4

(2Z,4E)-3-Chloro-2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid

  • Molecular FormulaC12H9ClO4
  • Average mass252.650 Da
  • Monoisotopic mass252.018936 Da
  • ChemSpider ID22376702
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z,4E)-3-Chlor-2-hydroxy-6-oxo-6-phenyl-2,4-hexadiensäure [German] [ACD/IUPAC Name]
(2Z,4E)-3-Chloro-2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid [ACD/IUPAC Name]
(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
2,4-Hexadienoic acid, 3-chloro-2-hydroxy-6-oxo-6-phenyl-, (2Z,4E)- [ACD/Index Name]
Acide (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phényl-2,4-hexadiénoïque [French] [ACD/IUPAC Name]
C1E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 379.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 183.2±27.9 °C
Index of Refraction: 1.623
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 177.3±3.0 cm3

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