ChemSpider 2D Image | MFCD18430133 | C16H11NO3

MFCD18430133

  • Molecular FormulaC16H11NO3
  • Average mass265.263 Da
  • Monoisotopic mass265.073883 Da
  • ChemSpider ID21126213

More details:

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

1(2H)-Isoquinolinone, 3-benzoyl-4-hydroxy- [ACD/Index Name]
3-Benzoyl-4-hydroxy-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
3-Benzoyl-4-hydroxy-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
3-Benzoyl-4-hydroxy-1(2H)-isoquinolinone [ACD/IUPAC Name]
MFCD18430133

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 324.9±31.5 °C
Index of Refraction: 1.720
Molar Refractivity: 75.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.25
ACD/KOC (pH 5.5): 1238.68
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 59.48
ACD/KOC (pH 7.4): 496.96
Polar Surface Area: 70 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 191.7±3.0 cm3

Click to predict properties on the Chemicalize site


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