ChemSpider 2D Image | Methyl 5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylate | C12H9NO5

Methyl 5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylate

  • Molecular FormulaC12H9NO5
  • Average mass247.204 Da
  • Monoisotopic mass247.048065 Da
  • ChemSpider ID23376013

More details:






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

3-Isoxazolecarboxylic acid, 5-(1,3-benzodioxol-5-yl)-, methyl ester [ACD/Index Name]
5-(1,3-Benzodioxol-5-yl)-1,2-oxazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
3-isoxazolecarboxylic acid,5-(1,3-benzodioxol-5-yl)-,methyl ester
668971-48-0 [RN]
AKOS005207808
F2135-0559
KB-305139
L-3848
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 431.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.5±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.35
ACD/KOC (pH 5.5): 257.15
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.35
ACD/KOC (pH 7.4): 257.15
Polar Surface Area: 71 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 179.8±3.0 cm3

Click to predict properties on the Chemicalize site






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