ChemSpider 2D Image | 6-[2-(Hydroxymethyl)phenyl]-1(2H)-isoquinolinone | C16H13NO2

6-[2-(Hydroxymethyl)phenyl]-1(2H)-isoquinolinone

  • Molecular FormulaC16H13NO2
  • Average mass251.280 Da
  • Monoisotopic mass251.094635 Da
  • ChemSpider ID26325550

More details:

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

1(2H)-Isoquinolinone, 6-[2-(hydroxymethyl)phenyl]- [ACD/Index Name]
6-[2-(Hydroxymethyl)phenyl]-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
6-[2-(Hydroxyméthyl)phényl]-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-[2-(Hydroxymethyl)phenyl]-1(2H)-isoquinolinone [ACD/IUPAC Name]
6-[2-(Hydroxymethyl)phenyl]isoquinolin-1(2h)-One
3S1 [WLN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.86
ACD/KOC (pH 5.5): 262.90
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.86
ACD/KOC (pH 7.4): 262.90
Polar Surface Area: 49 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 201.2±3.0 cm3

Click to predict properties on the Chemicalize site


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