ChemSpider 2D Image | 2-Keto,5-Nitro,6-Hydroxy-3,5-Hexadienoic Acid | C6H5NO6

2-Keto,5-Nitro,6-Hydroxy-3,5-Hexadienoic Acid

  • Molecular FormulaC6H5NO6
  • Average mass187.107 Da
  • Monoisotopic mass187.011688 Da
  • ChemSpider ID22378519

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Keto,5-Nitro,6-Hydroxy-3,5-Hexadienoic Acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 320.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 61.8±6.0 kJ/mol
Flash Point: 145.0±16.3 °C
Index of Refraction: 1.583
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 116.6±3.0 cm3

Click to predict properties on the Chemicalize site


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