ChemSpider 2D Image | 4-(methylsulfonyl)-3-morpholinobenzoic acid | C12H15NO5S

4-(methylsulfonyl)-3-morpholinobenzoic acid

  • Molecular FormulaC12H15NO5S
  • Average mass285.316 Da
  • Monoisotopic mass285.067108 Da
  • ChemSpider ID24605547

More details:






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

1197193-19-3 [RN]
4-(Methylsulfonyl)-3-(4-morpholinyl)benzoesäure [German] [ACD/IUPAC Name]
4-(Methylsulfonyl)-3-(4-morpholinyl)benzoic acid [ACD/IUPAC Name]
4-(Methylsulfonyl)-3-(morpholin-4-yl)benzoic acid
4-(methylsulfonyl)-3-morpholinobenzoic acid
Acide 4-(méthylsulfonyl)-3-(4-morpholinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methylsulfonyl)-3-(4-morpholinyl)- [ACD/Index Name]
[1197193-19-3]
35691-93-1 [RN]
4-(Methylsulfonyl)-3-morpholinobenzoicAcid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 560.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.8±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 207.1±3.0 cm3

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