ChemSpider 2D Image | cis-3-Hydroxy-1-(methylsulfonyl)cyclobutanecarboxylic acid | C6H10O5S

cis-3-Hydroxy-1-(methylsulfonyl)cyclobutanecarboxylic acid

  • Molecular FormulaC6H10O5S
  • Average mass194.206 Da
  • Monoisotopic mass194.024887 Da
  • ChemSpider ID114866758

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide cis-3-hydroxy-1-(méthylsulfonyl)cyclobutanecarboxylique [French] [ACD/IUPAC Name]
cis-3-Hydroxy-1-(methylsulfonyl)cyclobutancarbonsäure [German] [ACD/IUPAC Name]
cis-3-Hydroxy-1-(methylsulfonyl)cyclobutanecarboxylic acid [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-hydroxy-1-(methylsulfonyl)-, cis- [ACD/Index Name]
2703782-30-1 [RN]
rac-(1s,3s)-3-hydroxy-1-methanesulfonylcyclobutane-1-carboxylic acid, trans

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

Density: 1.6±0.1 g/cm3
Boiling Point: 511.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 39.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 122.7±5.0 cm3

Click to predict properties on the Chemicalize site


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