ChemSpider 2D Image | Ethyl 5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylate | C16H19NO7

Ethyl 5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylate

  • Molecular FormulaC16H19NO7
  • Average mass337.325 Da
  • Monoisotopic mass337.116150 Da
  • ChemSpider ID21475888

More details:

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

3-Isoxazolecarboxylic acid, 5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4,5-dihydro-4-methyl-, ethyl ester [ACD/Index Name]
5-(6,7-Diméthoxy-1,3-benzodioxol-5-yl)-4-méthyl-4,5-dihydro-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
5-(6,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-4-methyl-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester
ethyl 5-(6,7-dimethoxy(2H-benzo[d]1,3-dioxolen-5-yl))-4-methyl-4,5-dihydroisox azole-3-carboxylate
ethyl 5-(6,7-dimethoxy(2H-benzo[d]1,3-dioxolen-5-yl))-4-methyl-4,5-dihydroisoxazole-3-carboxylate
Ethyl 5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-3-isoxazolecarboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 404.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 159.5±25.9 °C
Index of Refraction: 1.576
Molar Refractivity: 80.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.10
ACD/KOC (pH 5.5): 265.57
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.10
ACD/KOC (pH 7.4): 265.57
Polar Surface Area: 85 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site


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