ChemSpider 2D Image | 3-(Carboxymethoxy)-2-thiophenecarboxylic acid | C7H6O5S

3-(Carboxymethoxy)-2-thiophenecarboxylic acid

  • Molecular FormulaC7H6O5S
  • Average mass202.184 Da
  • Monoisotopic mass201.993591 Da
  • ChemSpider ID23275909

More details:






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

2-thiophenecarboxylic acid, 3-(carboxymethoxy)- [ACD/Index Name]
3-(Carboxymethoxy)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-(Carboxymethoxy)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-(carboxyméthoxy)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
3-(carboxymethoxy)thiophene-2-carboxylic acid
3-Carboxymethoxy-thiophene-2-carboxylic acid
96232-58-5 [RN]
Monocyclic thiophene analog 6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 434.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.7±24.6 °C
Index of Refraction: 1.620
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 126.6±3.0 cm3

Click to predict properties on the Chemicalize site






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