ChemSpider 2D Image | 4-[5-(Dihydroxyacetyl)-2-thienyl]-2-hydroxy-3-butynoic acid | C10H8O6S

4-[5-(Dihydroxyacetyl)-2-thienyl]-2-hydroxy-3-butynoic acid

  • Molecular FormulaC10H8O6S
  • Average mass256.232 Da
  • Monoisotopic mass256.004150 Da
  • ChemSpider ID95265002

More details:

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

3-Butynoic acid, 4-[5-(2,2-dihydroxyacetyl)-2-thienyl]-2-hydroxy- [ACD/Index Name]
4-[5-(Dihydroxyacetyl)-2-thienyl]-2-hydroxy-3-butinsäure [German] [ACD/IUPAC Name]
4-[5-(Dihydroxyacetyl)-2-thienyl]-2-hydroxy-3-butynoic acid [ACD/IUPAC Name]
Acide 4-[5-(2,2-dihydroxyacétyl)-2-thiényl]-2-hydroxy-3-butynoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 571.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.6±30.1 °C
Index of Refraction: 1.703
Molar Refractivity: 57.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 112.2±5.0 dyne/cm
Molar Volume: 147.1±5.0 cm3

Click to predict properties on the Chemicalize site


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