ChemSpider 2D Image | (1R,5aS,6R)-1,2,5,5a,6,7-Hexahydro-1,6-phenazinedicarboxylic acid | C14H14N2O4

(1R,5aS,6R)-1,2,5,5a,6,7-Hexahydro-1,6-phenazinedicarboxylic acid

  • Molecular FormulaC14H14N2O4
  • Average mass274.272 Da
  • Monoisotopic mass274.095367 Da
  • ChemSpider ID35034141
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,5aS,6R)-1,2,5,5a,6,7-Hexahydro-1,6-phenazindicarbonsäure [German] [ACD/IUPAC Name]
(1R,5aS,6R)-1,2,5,5a,6,7-Hexahydro-1,6-phenazinedicarboxylic acid [ACD/IUPAC Name]
(1r,5as,6r)-1,2,5,5a,6,7-Hexahydrophenazine-1,6-Dicarboxylic Acid
1,6-Phenazinedicarboxylic acid, 1,2,5,5a,6,7-hexahydro-, (1R,5aS,6R)- [ACD/Index Name]
Acide (1R,5aS,6R)-1,2,5,5a,6,7-hexahydro-1,6-phénazinedicarboxylique [French] [ACD/IUPAC Name]
NNV

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

Density: 1.6±0.1 g/cm3
Boiling Point: 597.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.739
Molar Refractivity: 68.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 68.9±7.0 dyne/cm
Molar Volume: 171.0±7.0 cm3

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