ChemSpider 2D Image | 3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-nitropropyl nitrate | C11H14N2O8

3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-nitropropyl nitrate

  • Molecular FormulaC11H14N2O8
  • Average mass302.237 Da
  • Monoisotopic mass302.075012 Da
  • ChemSpider ID23269895

More details:

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

3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-nitropropyl nitrate [ACD/IUPAC Name]
3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-nitropropylnitrat [German] [ACD/IUPAC Name]
Benzenepropanol, 4-hydroxy-3,5-dimethoxy-β-nitro-, α-nitrate [ACD/Index Name]
Nitrate de 3-(4-hydroxy-3,5-diméthoxyphényl)-2-nitropropyle [French] [ACD/IUPAC Name]
3-((4-hydroxy-3,5-dimethoxy)phenyl)prop-1,2-diyl dinitrate
CHEMBL381054
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL381054/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 242.2±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 69.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 8.00
ACD/KOC (pH 5.5): 124.03
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.69
Polar Surface Area: 140 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 217.5±3.0 cm3

Click to predict properties on the Chemicalize site


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