ChemSpider 2D Image | 3-(methanesulfonylmethyl)oxetane-3-carboxylic acid | C6H10O5S

3-(methanesulfonylmethyl)oxetane-3-carboxylic acid

  • Molecular FormulaC6H10O5S
  • Average mass194.206 Da
  • Monoisotopic mass194.024887 Da
  • ChemSpider ID58184420

More details:

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

1955520-30-5 [RN]
3-(methanesulfonylmethyl)oxetane-3-carboxylic acid
3-[(Methylsulfonyl)methyl]-3-oxetancarbonsäure [German] [ACD/IUPAC Name]
3-[(Methylsulfonyl)methyl]-3-oxetanecarboxylic acid [ACD/IUPAC Name]
3-Oxetanecarboxylic acid, 3-[(methylsulfonyl)methyl]- [ACD/Index Name]
Acide 3-[(méthylsulfonyl)méthyl]-3-oxétanecarboxylique [French] [ACD/IUPAC Name]
MFCD30180384

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

Density: 1.5±0.1 g/cm3
Boiling Point: 468.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 237.3±24.6 °C
Index of Refraction: 1.521
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 131.3±3.0 cm3

Click to predict properties on the Chemicalize site


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