ChemSpider 2D Image | 2-[Carboxy(hydroxy)methyl]-3-thiophenecarboxylic acid | C7H6O5S

2-[Carboxy(hydroxy)methyl]-3-thiophenecarboxylic acid

  • Molecular FormulaC7H6O5S
  • Average mass202.184 Da
  • Monoisotopic mass201.993591 Da
  • ChemSpider ID55329794

More details:






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

2-[Carboxy(hydroxy)methyl]-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
2-[Carboxy(hydroxy)methyl]-3-thiophenecarboxylic acid [ACD/IUPAC Name]
2-Thiopheneacetic acid, 3-carboxy-α-hydroxy- [ACD/Index Name]
Acide 2-[carboxy(hydroxy)méthyl]-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
1699256-06-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 501.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 257.3±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 95.7±3.0 dyne/cm
Molar Volume: 117.1±3.0 cm3

Click to predict properties on the Chemicalize site






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