ChemSpider 2D Image | Benzyl 9-oxo-3-azaspiro[5.5]undec-7-ene-3-carboxylate | C18H21NO3

Benzyl 9-oxo-3-azaspiro[5.5]undec-7-ene-3-carboxylate

  • Molecular FormulaC18H21NO3
  • Average mass299.364 Da
  • Monoisotopic mass299.152130 Da
  • ChemSpider ID11630757

More details:






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

3-Azaspiro[5.5]undec-7-ene-3-carboxylic acid, 9-oxo-, phenylmethyl ester [ACD/Index Name]
9-Oxo-3-azaspiro[5.5]undéc-7-ène-3-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 9-oxo-3-azaspiro[5.5]undec-7-ene-3-carboxylate [ACD/IUPAC Name]
Benzyl-9-oxo-3-azaspiro[5.5]undec-7-en-3-carboxylat [German] [ACD/IUPAC Name]
189333-18-4 [RN]
9-oxo-3-aza-spiro[5,5]undec-7-ene-3-carboxylic acid benzyl ester
9-oxo-3-Azaspiro[5.5]undec-7-ene-3-carboxylic acid phenylmethyl ester
benzyl-9-oxo-3-azaspiro[5.5]undec-7-ene-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 470.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.4±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.21
ACD/KOC (pH 5.5): 752.12
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.21
ACD/KOC (pH 7.4): 752.12
Polar Surface Area: 47 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 249.5±5.0 cm3

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