ChemSpider 2D Image | 3-(2,6-dimethylmorpholin-4-yl)-4-methanesulfonylbenzoic acid | C14H19NO5S

3-(2,6-dimethylmorpholin-4-yl)-4-methanesulfonylbenzoic acid

  • Molecular FormulaC14H19NO5S
  • Average mass313.369 Da
  • Monoisotopic mass313.098389 Da
  • ChemSpider ID21328720

More details:

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

1000018-49-4 [RN]
3-(2,6-Dimethyl-4-morpholinyl)-4-(methylsulfonyl)benzoesäure [German] [ACD/IUPAC Name]
3-(2,6-Dimethyl-4-morpholinyl)-4-(methylsulfonyl)benzoic acid [ACD/IUPAC Name]
3-(2,6-Dimethylmorpholin-4-yl)-4-(methylsulfonyl)benzoic acid
3-(2,6-dimethylmorpholin-4-yl)-4-methanesulfonylbenzoic acid
Acide 3-(2,6-diméthyl-4-morpholinyl)-4-(méthylsulfonyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(2,6-dimethyl-4-morpholinyl)-4-(methylsulfonyl)- [ACD/Index Name]
[1000018-49-4] [RN]
3-(2,6-Dimethylmorpholin-4-yl)-4-
3-(2,6-Dimethylmorpholin-4-yl)-4-(methanesulfonyl)benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD09743733 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.6±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 247.0±3.0 cm3

Click to predict properties on the Chemicalize site


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