ChemSpider 2D Image | [1,3]Dioxolo[4,5-b]pyridine | C6H5NO2

[1,3]Dioxolo[4,5-b]pyridine

  • Molecular FormulaC6H5NO2
  • Average mass123.109 Da
  • Monoisotopic mass123.032028 Da
  • ChemSpider ID24582291

More details:






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

[1,3]Dioxolo[4,5-b]pyridin [German] [ACD/IUPAC Name]
[1,3]Dioxolo[4,5-b]pyridine [ACD/IUPAC Name]
[1,3]Dioxolo[4,5-b]pyridine [French] [ACD/IUPAC Name]
1,3-Dioxolo[4,5-b]pyridine [ACD/Index Name]
[72138-73-9]
2H-[1,3]DIOXOLO[4,5-B]PYRIDINE
72138-73-9 [RN]
MFCD11656564 [MDL number]
min. 95 %

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

Density: 1.3±0.1 g/cm3
Boiling Point: 207.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.6±3.0 kJ/mol
Flash Point: 74.8±9.0 °C
Index of Refraction: 1.564
Molar Refractivity: 30.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 87.65
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.46
ACD/KOC (pH 7.4): 101.36
Polar Surface Area: 31 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 93.8±3.0 cm3

Click to predict properties on the Chemicalize site






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