ChemSpider 2D Image | (2E,4E)-2-Hydroxy-6-oxo-2,4-heptadienoic acid | C7H8O4

(2E,4E)-2-Hydroxy-6-oxo-2,4-heptadienoic acid

  • Molecular FormulaC7H8O4
  • Average mass156.136 Da
  • Monoisotopic mass156.042252 Da
  • ChemSpider ID13778131
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,4E)-2-Hydroxy-6-oxo-2,4-heptadienoic acid [ACD/IUPAC Name]
(2E,4E)-2-Hydroxy-6-oxo-2,4-heptadiensäure [German] [ACD/IUPAC Name]
(2e,4e)-2-Hydroxy-6-Oxohepta-2,4-Dienoic Acid
2,4-Heptadienoic acid, 2-hydroxy-6-oxo-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-2-hydroxy-6-oxo-2,4-heptadiénoïque [French] [ACD/IUPAC Name]
2-HYDROXY-6-OXOHEPTA-2,4-DIENOIC ACID
7244-95-3 [RN]
M3P

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

Density: 1.3±0.1 g/cm3
Boiling Point: 368.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.1±6.0 kJ/mol
Flash Point: 190.7±24.4 °C
Index of Refraction: 1.537
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 120.4±3.0 cm3

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