ChemSpider 2D Image | 3-{[3-(2,5-Dioxo-2,5-dihydro-3-furanyl)-2-propyn-1-yl]sulfanyl}benzoic acid | C14H8O5S

3-{[3-(2,5-Dioxo-2,5-dihydro-3-furanyl)-2-propyn-1-yl]sulfanyl}benzoic acid

  • Molecular FormulaC14H8O5S
  • Average mass288.275 Da
  • Monoisotopic mass288.009247 Da
  • ChemSpider ID86986545

More details:

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

3-{[3-(2,5-Dioxo-2,5-dihydro-3-furanyl)-2-propin-1-yl]sulfanyl}benzoesäure [German] [ACD/IUPAC Name]
3-{[3-(2,5-Dioxo-2,5-dihydro-3-furanyl)-2-propyn-1-yl]sulfanyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{[3-(2,5-dioxo-2,5-dihydro-3-furanyl)-2-propyn-1-yl]sulfanyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-(2,5-dihydro-2,5-dioxo-3-furanyl)-2-propyn-1-yl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 512.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.8±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 71.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 16.03
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 187.4±5.0 cm3

Click to predict properties on the Chemicalize site


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