ChemSpider 2D Image | (3E)-2-Oxo-3-heptenedioate | C7H6O5

(3E)-2-Oxo-3-heptenedioate

  • Molecular FormulaC7H6O5
  • Average mass170.121 Da
  • Monoisotopic mass170.022614 Da
  • ChemSpider ID21864826

  • Charge - Charge

More details:

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

(3E)-2-Oxo-3-heptendioat [German] [ACD/IUPAC Name]
(3E)-2-Oxo-3-heptenedioate [ACD/IUPAC Name]
(3E)-2-Oxo-3-heptènedioate [French] [ACD/IUPAC Name]
3-Heptenedioic acid, 2-oxo-, ion(2-), (3E)- [ACD/Index Name]
2-Oxohept-3-ene-1,7-dioate
2-Oxohept-3-enedioate

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

Density:
Boiling Point: 375.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 194.7±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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