ChemSpider 2D Image | 4-(Carboxymethyl)-3-thiophenecarboxylic acid | C7H6O4S

4-(Carboxymethyl)-3-thiophenecarboxylic acid

  • Molecular FormulaC7H6O4S
  • Average mass186.185 Da
  • Monoisotopic mass185.998672 Da
  • ChemSpider ID27027453

More details:

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

3-Thiopheneacetic acid, 4-carboxy- [ACD/Index Name]
4-(Carboxymethyl)-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-(Carboxymethyl)-3-thiophenecarboxylic acid [ACD/IUPAC Name]
4-(carboxymethyl)thiophene-3-carboxylic acid
57279-54-6 [RN]
Acide 4-(carboxyméthyl)-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
MFCD18451649

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

Density: 1.6±0.1 g/cm3
Boiling Point: 410.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.3±24.6 °C
Index of Refraction: 1.637
Molar Refractivity: 42.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 118.9±3.0 cm3

Click to predict properties on the Chemicalize site


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