ChemSpider 2D Image | 5-(3-Carboxy-3-hydroxy-1-propyn-1-yl)-4-methoxy-2-thiophenecarboxylic acid | C10H8O6S

5-(3-Carboxy-3-hydroxy-1-propyn-1-yl)-4-methoxy-2-thiophenecarboxylic acid

  • Molecular FormulaC10H8O6S
  • Average mass256.232 Da
  • Monoisotopic mass256.004150 Da
  • ChemSpider ID92829750

More details:

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

2-Thiophenecarboxylic acid, 5-(3-carboxy-3-hydroxy-1-propyn-1-yl)-4-methoxy- [ACD/Index Name]
5-(3-Carboxy-3-hydroxy-1-propin-1-yl)-4-methoxy-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(3-Carboxy-3-hydroxy-1-propyn-1-yl)-4-methoxy-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(3-carboxy-3-hydroxy-1-propyn-1-yl)-4-méthoxy-2-thiophènecarboxylique [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: 572.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 300.3±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 57.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 94.4±5.0 dyne/cm
Molar Volume: 154.7±5.0 cm3

Click to predict properties on the Chemicalize site


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