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Search term: NLXIEJRQAIHYPN-IOBHVTPZSA-L (Found by InChIKey (full match))

ChemSpider 2D Image | (2Z,4Z)-5-Formyl-2-hydroxy-2,4-heptadienedioate | C8H6O6


  • Molecular FormulaC8H6O6
  • Average mass198.131 Da
  • Monoisotopic mass198.017532 Da
  • ChemSpider ID26331014
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4Z)-5-Formyl-2-hydroxy-2,4-heptadiendioat [German] [ACD/IUPAC Name]
(2Z,4Z)-5-Formyl-2-hydroxy-2,4-heptadienedioate [ACD/IUPAC Name]
(2Z,4Z)-5-Formyl-2-hydroxy-2,4-heptadiènedioate [French] [ACD/IUPAC Name]
2,4-Heptadienedioic acid, 5-formyl-2-hydroxy-, ion(2-), (2Z,4Z)- [ACD/Index Name]
2-Hydroxy-5-carboxymethylmuconate semialdehyde
5-formyl-2-hydroxyhepta-2,4-dienedioate dianion
  • Miscellaneous

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

Boiling Point: 524.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 284.8±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -4.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Surface Tension:
Molar Volume:

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