ChemSpider 2D Image | (2S,4E)-4-(2-Oxoethylidene)-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid | C9H9NO5

(2S,4E)-4-(2-Oxoethylidene)-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid

  • Molecular FormulaC9H9NO5
  • Average mass211.171 Da
  • Monoisotopic mass211.048065 Da
  • ChemSpider ID110607170

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S,4E)-4-(2-Oxoethyliden)-1,2,3,4-tetrahydro-2,6-pyridindicarbonsäure [German] [ACD/IUPAC Name]
(2S,4E)-4-(2-Oxoethylidene)-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid [ACD/IUPAC Name]
2,6-Pyridinedicarboxylic acid, 1,2,3,4-tetrahydro-4-(2-oxoethylidene)-, (2S,4E)- [ACD/Index Name]
Acide (2S,4E)-4-(2-oxoéthylidène)-1,2,3,4-tétrahydro-2,6-pyridinedicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 511.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 262.8±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -4.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 89.2±3.0 dyne/cm
Molar Volume: 132.8±3.0 cm3

Click to predict properties on the Chemicalize site


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