ChemSpider 2D Image | [(2S)-2-Hydroxy-2-methyl-2H-chromen-3-yl](phenyl)methanone | C17H14O3

[(2S)-2-Hydroxy-2-methyl-2H-chromen-3-yl](phenyl)methanone

  • Molecular FormulaC17H14O3
  • Average mass266.291 Da
  • Monoisotopic mass266.094299 Da
  • ChemSpider ID21175062

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Density: 1.3±0.1 g/cm3
Boiling Point: 447.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 167.5±22.2 °C
Index of Refraction: 1.634
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.10
ACD/KOC (pH 5.5): 830.59
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.09
ACD/KOC (pH 7.4): 830.49
Polar Surface Area: 47 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 211.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement