ChemSpider 2D Image | (2E,4E)-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid | C7H8O5

(2E,4E)-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

  • Molecular FormulaC7H8O5
  • Average mass172.135 Da
  • Monoisotopic mass172.037170 Da
  • ChemSpider ID29336690

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid [ACD/IUPAC Name]
(2E,4E)-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadiensäure [German] [ACD/IUPAC Name]
2,4-Hexadienoic acid, 2,4-dihydroxy-5-methyl-6-oxo-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-2,4-dihydroxy-5-méthyl-6-oxo-2,4-hexadiénoïque [French] [ACD/IUPAC Name]
(2E,4E)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoic acid
(E,E)-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
C18318
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 333.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 170.0±24.4 °C
Index of Refraction: 1.576
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 117.7±3.0 cm3

Click to predict properties on the Chemicalize site


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