ChemSpider 2D Image | (2Z,4E)-5-Hydroxy-2,4-pentadiene-1,2,5-tricarboxylic acid | C8H8O7

(2Z,4E)-5-Hydroxy-2,4-pentadiene-1,2,5-tricarboxylic acid

  • Molecular FormulaC8H8O7
  • Average mass216.145 Da
  • Monoisotopic mass216.027008 Da
  • ChemSpider ID21864724

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E)-5-Hydroxy-2,4-pentadien-1,2,5-tricarbonsäure [German] [ACD/IUPAC Name]
(2Z,4E)-5-Hydroxy-2,4-pentadiene-1,2,5-tricarboxylic acid [ACD/IUPAC Name]
(2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid
2,4-Pentadiene-1,2,5-tricarboxylic acid, 5-hydroxy-, (2Z,4E)- [ACD/Index Name]
Acide (2Z,4E)-5-hydroxy-2,4-pentadiène-1,2,5-tricarboxylique [French] [ACD/IUPAC Name]
5-Carboxymethyl-2-hydroxymuconate

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

C04186 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 549.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 300.1±26.6 °C
Index of Refraction: 1.618
Molar Refractivity: 45.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -5.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 92.4±3.0 dyne/cm
Molar Volume: 128.8±3.0 cm3

Click to predict properties on the Chemicalize site


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