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Search term: 58828678 (Found by CSID)
ChemSpider 2D Image | 2-(4-Hydroxyphenyl)ethyl 3-nitropropanoate | C11H13NO5

2-(4-Hydroxyphenyl)ethyl 3-nitropropanoate

  • Molecular FormulaC11H13NO5
  • Average mass239.225 Da
  • Monoisotopic mass239.079376 Da
  • ChemSpider ID58828678

More details:

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

2-(4-Hydroxyphenyl)ethyl 3-nitropropanoate [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)ethyl-3-nitropropanoat [German] [ACD/IUPAC Name]
3-Nitropropanoate de 2-(4-hydroxyphényl)éthyle [French] [ACD/IUPAC Name]
Propanoic acid, 3-nitro-, 2-(4-hydroxyphenyl)ethyl ester [ACD/Index Name]
Phomonitroester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 429.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 213.5±24.6 °C
Index of Refraction: 1.550
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.35
ACD/KOC (pH 5.5): 209.93
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 132.70
Polar Surface Area: 92 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 186.5±3.0 cm3

Click to predict properties on the Chemicalize site


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