ChemSpider 2D Image | 2-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]ethyl N-(ethoxycarbonyl)-beta-alaninate | C15H18N2O8S

2-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]ethyl N-(ethoxycarbonyl)-β-alaninate

  • Molecular FormulaC15H18N2O8S
  • Average mass386.377 Da
  • Monoisotopic mass386.078400 Da
  • ChemSpider ID65307074

More details:

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

2-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]ethyl N-(ethoxycarbonyl)-β-alaninate [ACD/IUPAC Name]
2-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]ethyl-N-(ethoxycarbonyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(Éthoxycarbonyl)-β-alaninate de 2-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(ethoxycarbonyl)-, 2-[(2,3-dihydro-2-oxo-6-benzoxazolyl)sulfonyl]ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.553
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 71.17
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 59.72
Polar Surface Area: 145 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

Click to predict properties on the Chemicalize site


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