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Search term: JVMVFNAWQBHMLC (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl 4-(1-azetidinylmethyl)-ε-oxobenzenehexanoate | C18H25NO3

Ethyl 4-(1-azetidinylmethyl)-ε-oxobenzenehexanoate

  • Molecular FormulaC18H25NO3
  • Average mass303.396 Da
  • Monoisotopic mass303.183441 Da
  • ChemSpider ID21399154

More details:






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

6-[4-(1-Azétidinylméthyl)phényl]-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
898757-25-0 [RN]
Benzenehexanoic acid, 4-(1-azetidinylmethyl)-ε-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(1-azetidinylmethyl)-ε-oxobenzenehexanoate
Ethyl 6-(4-(azetidin-1-ylmethyl)phenyl)-6-oxohexanoate
Ethyl 6-[4-(1-azetidinylmethyl)phenyl]-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-[4-(1-azetidinylmethyl)phenyl]-6-oxohexanoat [German] [ACD/IUPAC Name]
ethyl 6-[4-(azetidin-1-ylmethyl)phenyl]-6-oxohexanoate
ethyl 6-[4-(azetidinomethyl)phenyl]-6-oxohexanoate
Ethyl 6-{4-[(azetidin-1-yl)methyl]phenyl}-6-oxohexanoate
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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: 426.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.6±25.9 °C
Index of Refraction: 1.541
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.62
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 20.00
ACD/KOC (pH 7.4): 184.87
Polar Surface Area: 47 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 274.4±3.0 cm3

Click to predict properties on the Chemicalize site






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