ChemSpider 2D Image | (1R)-1-(6-Nitro-1,3-benzodioxol-5-yl)ethanol | C9H9NO5

(1R)-1-(6-Nitro-1,3-benzodioxol-5-yl)ethanol

  • Molecular FormulaC9H9NO5
  • Average mass211.171 Da
  • Monoisotopic mass211.048065 Da
  • ChemSpider ID32790269

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-(6-Nitro-1,3-benzodioxol-5-yl)ethanol [German] [ACD/IUPAC Name]
(1R)-1-(6-Nitro-1,3-benzodioxol-5-yl)ethanol [ACD/IUPAC Name]
(1R)-1-(6-Nitro-1,3-benzodioxol-5-yl)éthanol [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-methanol, α-methyl-6-nitro-, (αR)- [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: 393.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 191.6±27.9 °C
Index of Refraction: 1.614
Molar Refractivity: 50.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.51
ACD/KOC (pH 5.5): 118.12
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 118.12
Polar Surface Area: 85 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 143.5±3.0 cm3

Click to predict properties on the Chemicalize site


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