ChemSpider 2D Image | (2S)-1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone | C16H12O6

(2S)-1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone

  • Molecular FormulaC16H12O6
  • Average mass300.263 Da
  • Monoisotopic mass300.063385 Da
  • ChemSpider ID32796860

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanon [German] [ACD/IUPAC Name]
(2S)-1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone [ACD/IUPAC Name]
(2S)-1,2-Bis(1,3-benzodioxol-5-yl)-2-hydroxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxy-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 197.8±23.6 °C
Index of Refraction: 1.660
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 151.65
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.82
ACD/KOC (pH 7.4): 151.65
Polar Surface Area: 74 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 202.3±3.0 cm3

Click to predict properties on the Chemicalize site


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