ChemSpider 2D Image | 2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid | C12H10O4

2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

  • Molecular FormulaC12H10O4
  • Average mass218.205 Da
  • Monoisotopic mass218.057907 Da
  • ChemSpider ID21607346

More details:

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

(2Z,4E)-2-Hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid [ACD/IUPAC Name]
(2Z,4E)-2-Hydroxy-6-oxo-6-phenyl-2,4-hexadiensäure [German] [ACD/IUPAC Name]
2,4-hexadienoic acid, 2-hydroxy-6-oxo-6-phenyl-
2,4-Hexadienoic acid, 2-hydroxy-6-oxo-6-phenyl-, (2Z,4E)- [ACD/Index Name]
2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Acide (2Z,4E)-2-hydroxy-6-oxo-6-phényl-2,4-hexadiénoïque [French] [ACD/IUPAC Name]
2,6-Dioxo-6-phenylhexa-3-enoate
2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid
2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate
50480-67-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2723676 [DBID]
  • Miscellaneous

    • Chemical Class:

      Penta-2,4-dienoic acid in which the hydrogen at position 2 is substituted by hydroxy and one of the hydrogens at position 5 is substituted by a benzoyl group. It is a metabolic product of biphenyl fro m <ital>Pseudomonas putida</ital>. ChEBI CHEBI:17820
      Penta-2,4-dienoic acid in which the hydrogen at position 2 is substituted by hydroxy and one of the hydrogens at position 5 is substituted by a benzoyl group. It is a metabolic product of biphenyl fro m Pseudomonas putida. ChEBI CHEBI:17820

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

Density: 1.3±0.1 g/cm3
Boiling Point: 409.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 215.8±25.2 °C
Index of Refraction: 1.613
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: 1.11
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -2.56
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: 59.1±3.0 dyne/cm
Molar Volume: 166.2±3.0 cm3

Click to predict properties on the Chemicalize site


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