ChemSpider 2D Image | N-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]glycine | C12H11NO5

N-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]glycine

  • Molecular FormulaC12H11NO5
  • Average mass249.219 Da
  • Monoisotopic mass249.063721 Da
  • ChemSpider ID24144188

More details:

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

Glycine, N-[(2E)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
N-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]glycin [German] [ACD/IUPAC Name]
N-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]glycine [ACD/IUPAC Name]
N-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]glycine [French] [ACD/IUPAC Name]
105624-42-8 [RN]
N-[3-(2H-1,3-Benzodioxol-5-yl)acryloyl]glycine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 564.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.2±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 62.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 175.2±3.0 cm3

Click to predict properties on the Chemicalize site


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