ChemSpider 2D Image | 5-Hydroxy-1(4H)-isoquinolinone | C9H7NO2

5-Hydroxy-1(4H)-isoquinolinone

  • Molecular FormulaC9H7NO2
  • Average mass161.157 Da
  • Monoisotopic mass161.047684 Da
  • ChemSpider ID35033885

More details:

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

1(4H)-Isoquinolinone, 5-hydroxy- [ACD/Index Name]
5-Hydroxy-1(4H)-isochinolinon [German] [ACD/IUPAC Name]
5-Hydroxy-1(4H)-isoquinoléinone [French] [ACD/IUPAC Name]
5-Hydroxy-1(4H)-isoquinolinone [ACD/IUPAC Name]
5-Hydroxyisoquinolin-1(4h)-One

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

Density: 1.3±0.1 g/cm3
Boiling Point: 377.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 181.8±30.7 °C
Index of Refraction: 1.651
Molar Refractivity: 43.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 77.52
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 75.38
Polar Surface Area: 50 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 119.6±7.0 cm3

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