ChemSpider 2D Image | 4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-ylmethoxy)-4-oxobutanoic acid | C11H12O6S

4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-ylmethoxy)-4-oxobutanoic acid

  • Molecular FormulaC11H12O6S
  • Average mass272.274 Da
  • Monoisotopic mass272.035461 Da
  • ChemSpider ID21389303

More details:

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

4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-ylmethoxy)-4-oxobutanoic acid [ACD/IUPAC Name]
4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-ylmethoxy)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-(2,3-dihydrothiéno[3,4-b][1,4]dioxin-2-ylméthoxy)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(2,3-dihydrothieno[3,4-b]-1,4-dioxin-2-yl)methyl] ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 451.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 226.7±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.16
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

Click to predict properties on the Chemicalize site


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