ChemSpider 2D Image | Methyl (2E)-[(3S,7aR)-3-phenyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-ylidene]acetate | C15H17NO3

Methyl (2E)-[(3S,7aR)-3-phenyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-ylidene]acetate

  • Molecular FormulaC15H17NO3
  • Average mass259.300 Da
  • Monoisotopic mass259.120850 Da
  • ChemSpider ID30658489

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-[(3S,7aR)-3-Phényltétrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-ylidène]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(3S,7aR)-tetrahydro-3-phenylpyrrolo[2,1-b]oxazol-5(6H)-ylidene]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-[(3S,7aR)-3-phenyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-ylidene]acetate [ACD/IUPAC Name]
Methyl-(2E)-[(3S,7aR)-3-phenyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-yliden]acetat [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: 406.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 199.8±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 71.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.92
ACD/KOC (pH 5.5): 347.36
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.00
ACD/KOC (pH 7.4): 348.56
Polar Surface Area: 39 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 210.6±5.0 cm3

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