ChemSpider 2D Image | Ethyl 8-[2-(1-azetidinylmethyl)phenyl]-8-oxooctanoate | C20H29NO3

Ethyl 8-[2-(1-azetidinylmethyl)phenyl]-8-oxooctanoate

  • Molecular FormulaC20H29NO3
  • Average mass331.449 Da
  • Monoisotopic mass331.214752 Da
  • ChemSpider ID21400064

More details:






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

8-[2-(1-Azétidinylméthyl)phényl]-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
898755-64-1 [RN]
Benzeneoctanoic acid, 2-(1-azetidinylmethyl)-η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-[2-(1-azetidinylmethyl)phenyl]-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-[2-(1-azetidinylmethyl)phenyl]-8-oxooctanoat [German] [ACD/IUPAC Name]
Ethyl 8-(2-(azetidin-1-ylmethyl)phenyl)-8-oxooctanoate
ETHYL 8-[(2-(AZETIDINOMETHYL)PHENYL)]-8-OXOOCTANOATE
ethyl 8-[2-(azetidin-1-ylmethyl)phenyl]-8-oxooctanoate
Ethyl 8-[2-(azetidinomethyl)phenyl)]-8-oxooctanoate
Ethyl 8-[2-(azetidinomethyl)phenyl]-8-oxooctanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 446.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.0±25.9 °C
Index of Refraction: 1.533
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.14
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 45.19
ACD/KOC (pH 7.4): 303.97
Polar Surface Area: 47 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 307.4±3.0 cm3

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