ChemSpider 2D Image | Ethyl 3-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-oxopropanoate | C13H14O5

Ethyl 3-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-oxopropanoate

  • Molecular FormulaC13H14O5
  • Average mass250.247 Da
  • Monoisotopic mass250.084122 Da
  • ChemSpider ID32790551

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Benzodioxin-2-propanoic acid, 2,3-dihydro-β-oxo-, ethyl ester, (2S)- [ACD/Index Name]
3-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-yl]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-oxopropanoat [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: 357.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 188.0±15.9 °C
Index of Refraction: 1.523
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.15
ACD/KOC (pH 5.5): 254.91
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.03
ACD/KOC (pH 7.4): 252.99
Polar Surface Area: 62 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 202.6±3.0 cm3

Click to predict properties on the Chemicalize site


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