ChemSpider 2D Image | N-[(2E)-3-(3-Methyl-2-oxo-2H-pyran-6-yl)-2-butenoyl]glycine | C12H13NO5

N-[(2E)-3-(3-Methyl-2-oxo-2H-pyran-6-yl)-2-butenoyl]glycine

  • Molecular FormulaC12H13NO5
  • Average mass251.235 Da
  • Monoisotopic mass251.079376 Da
  • ChemSpider ID29215531

  • Double-bond stereo - Double-bond stereo

More details:

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

Glycine, N-[(2E)-3-(3-methyl-2-oxo-2H-pyran-6-yl)-1-oxo-2-buten-1-yl]- [ACD/Index Name]
N-[(2E)-3-(3-Methyl-2-oxo-2H-pyran-6-yl)-2-butenoyl]glycin [German] [ACD/IUPAC Name]
N-[(2E)-3-(3-Methyl-2-oxo-2H-pyran-6-yl)-2-butenoyl]glycine [ACD/IUPAC Name]
N-[(2E)-3-(3-Méthyl-2-oxo-2H-pyran-6-yl)-2-butenoyl]glycine [French] [ACD/IUPAC Name]
prolipyrone C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 283.2±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 190.7±3.0 cm3

Click to predict properties on the Chemicalize site


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