ChemSpider 2D Image | (3R,7aS)-7-Methoxy-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5(7aH)-one | C14H15NO3

(3R,7aS)-7-Methoxy-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5(7aH)-one

  • Molecular FormulaC14H15NO3
  • Average mass245.274 Da
  • Monoisotopic mass245.105194 Da
  • ChemSpider ID24741302

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,7aS)-7-Methoxy-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5(7aH)-on [German] [ACD/IUPAC Name]
(3R,7aS)-7-Methoxy-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5(7aH)-one [ACD/IUPAC Name]
(3R,7aS)-7-Méthoxy-7a-méthyl-3-phényl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5(7aH)-one [French] [ACD/IUPAC Name]
Pyrrolo[2,1-b]oxazol-5(7aH)-one, 2,3-dihydro-7-methoxy-7a-methyl-3-phenyl-, (3R,7aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 455.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.2±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 66.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.76
ACD/KOC (pH 5.5): 121.85
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.76
ACD/KOC (pH 7.4): 121.85
Polar Surface Area: 39 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 194.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement