ChemSpider 2D Image | Ethyl 7-[4-(1-azetidinylmethyl)phenyl]-7-oxoheptanoate | C19H27NO3

Ethyl 7-[4-(1-azetidinylmethyl)phenyl]-7-oxoheptanoate

  • Molecular FormulaC19H27NO3
  • Average mass317.423 Da
  • Monoisotopic mass317.199097 Da
  • ChemSpider ID21399155

More details:

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

7-[4-(1-Azétidinylméthyl)phényl]-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
898757-28-3 [RN]
Benzeneheptanoic acid, 4-(1-azetidinylmethyl)-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-(4-(azetidin-1-ylmethyl)phenyl)-7-oxoheptanoate
Ethyl 7-[4-(1-azetidinylmethyl)phenyl]-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-[4-(1-azetidinylmethyl)phenyl]-7-oxoheptanoat [German] [ACD/IUPAC Name]
ethyl 7-[4-(azetidin-1-ylmethyl)phenyl]-7-oxoheptanoate
ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate
Ethyl 7-{4-[(azetidin-1-yl)methyl]phenyl}-7-oxoheptanoate
MFCD07699560 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.4±25.9 °C
Index of Refraction: 1.537
Molar Refractivity: 90.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.95
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 30.96
ACD/KOC (pH 7.4): 252.35
Polar Surface Area: 47 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 290.9±3.0 cm3

Click to predict properties on the Chemicalize site


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