ChemSpider 2D Image | 4-[3-(Cyclopentylsulfonyl)propanoyl]-3-morpholinecarboxylic acid | C13H21NO6S

4-[3-(Cyclopentylsulfonyl)propanoyl]-3-morpholinecarboxylic acid

  • Molecular FormulaC13H21NO6S
  • Average mass319.374 Da
  • Monoisotopic mass319.108948 Da
  • ChemSpider ID64091884

More details:

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

3-Morpholinecarboxylic acid, 4-[3-(cyclopentylsulfonyl)-1-oxopropyl]- [ACD/Index Name]
4-[3-(Cyclopentylsulfonyl)propanoyl]-3-morpholincarbonsäure [German] [ACD/IUPAC Name]
4-[3-(Cyclopentylsulfonyl)propanoyl]-3-morpholinecarboxylic acid [ACD/IUPAC Name]
Acide 4-[3-(cyclopentylsulfonyl)propanoyl]-3-morpholinecarboxylique [French] [ACD/IUPAC Name]
4-[3-(CYCLOPENTANESULFONYL)PROPANOYL]MORPHOLINE-3-CARBOXYLIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 340.1±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 230.7±5.0 cm3

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