ChemSpider 2D Image | N-[(3-Methoxy-2-methyl-3-oxopropyl)sulfonyl]-beta-alanine | C8H15NO6S

N-[(3-Methoxy-2-methyl-3-oxopropyl)sulfonyl]-β-alanine

  • Molecular FormulaC8H15NO6S
  • Average mass253.273 Da
  • Monoisotopic mass253.062012 Da
  • ChemSpider ID54270804

More details:

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

N-[(3-Methoxy-2-methyl-3-oxopropyl)sulfonyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(3-Methoxy-2-methyl-3-oxopropyl)sulfonyl]-β-alanine [ACD/IUPAC Name]
N-[(3-Méthoxy-2-méthyl-3-oxopropyl)sulfonyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(3-methoxy-2-methyl-3-oxopropyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 433.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±6.0 kJ/mol
Flash Point: 216.0±31.5 °C
Index of Refraction: 1.494
Molar Refractivity: 55.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 188.9±3.0 cm3

Click to predict properties on the Chemicalize site


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