ChemSpider 2D Image | 1-[(4-Methoxy-3-nitrophenyl)sulfonyl]-2-piperidinecarboxylic acid | C13H16N2O7S

1-[(4-Methoxy-3-nitrophenyl)sulfonyl]-2-piperidinecarboxylic acid

  • Molecular FormulaC13H16N2O7S
  • Average mass344.340 Da
  • Monoisotopic mass344.067810 Da
  • ChemSpider ID21674826

More details:

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

1-[(4-Methoxy-3-nitrophenyl)sulfonyl]-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[(4-Methoxy-3-nitrophenyl)sulfonyl]-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(4-methoxy-3-nitrophenyl)sulfonyl]- [ACD/Index Name]
Acide 1-[(4-méthoxy-3-nitrophényl)sulfonyl]-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-(4-methoxy-3-nitrobenzenesulfonyl)piperidine-2-carboxylic acid
1-[(4-methoxy-3-nitrophenyl)sulfonyl]piperidine-2-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 574.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.5±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 232.9±3.0 cm3

Click to predict properties on the Chemicalize site


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