ChemSpider 2D Image | (2S)-1-(Methylsulfonyl)-2-azetidinecarboxylic acid | C5H9NO4S

(2S)-1-(Methylsulfonyl)-2-azetidinecarboxylic acid

  • Molecular FormulaC5H9NO4S
  • Average mass179.194 Da
  • Monoisotopic mass179.025223 Da
  • ChemSpider ID61465091

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(Methylsulfonyl)-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S)-1-(Methylsulfonyl)-2-azetidinecarboxylic acid [ACD/IUPAC Name]
2-Azetidinecarboxylic acid, 1-(methylsulfonyl)-, (2S)- [ACD/Index Name]
Acide (2S)-1-(méthylsulfonyl)-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
1841102-96-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 375.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.4±6.0 kJ/mol
Flash Point: 180.9±30.7 °C
Index of Refraction: 1.566
Molar Refractivity: 37.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 114.8±5.0 cm3

Click to predict properties on the Chemicalize site


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