ChemSpider 2D Image | Ethyl 4-{4-[1-(2-ethoxyethoxy)-1-oxo-2-butanyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoate | C22H29NO8

Ethyl 4-{4-[1-(2-ethoxyethoxy)-1-oxo-2-butanyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoate

  • Molecular FormulaC22H29NO8
  • Average mass435.468 Da
  • Monoisotopic mass435.189331 Da
  • ChemSpider ID27356676

More details:

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

2H-1,4-Benzoxazine-6-butanoic acid, 4-[1-[(2-ethoxyethoxy)carbonyl]propyl]-3,4-dihydro-γ,3-dioxo-, ethyl ester [ACD/Index Name]
4-{4-[1-(2-Éthoxyéthoxy)-1-oxo-2-butanyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[1-(2-ethoxyethoxy)-1-oxo-2-butanyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-{4-[1-(2-ethoxyethoxy)-1-oxo-2-butanyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.7±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.15
ACD/KOC (pH 5.5): 954.64
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.16
ACD/KOC (pH 7.4): 954.64
Polar Surface Area: 108 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 360.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement