ChemSpider 2D Image | 3-Hydroxy-3-thietanecarboxylic acid | C4H6O3S

3-Hydroxy-3-thietanecarboxylic acid

  • Molecular FormulaC4H6O3S
  • Average mass134.154 Da
  • Monoisotopic mass134.003769 Da
  • ChemSpider ID37488258

More details:

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

3-Hydroxy-3-thietancarbonsäure [German] [ACD/IUPAC Name]
3-Hydroxy-3-thietanecarboxylic acid [ACD/IUPAC Name]
3-Thietanecarboxylic acid, 3-hydroxy- [ACD/Index Name]
Acide 3-hydroxy-3-thiétanecarboxylique [French] [ACD/IUPAC Name]
1540170-99-7 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 368.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 176.9±27.9 °C
Index of Refraction: 1.682
Molar Refractivity: 29.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -2.89
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: 83 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 102.3±3.0 dyne/cm
Molar Volume: 78.1±3.0 cm3

Click to predict properties on the Chemicalize site


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