ChemSpider 2D Image | (5S)-5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-one | C12H15NO3

(5S)-5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-one

  • Molecular FormulaC12H15NO3
  • Average mass221.252 Da
  • Monoisotopic mass221.105194 Da
  • ChemSpider ID32796809

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(5S)-5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(5S)-5-[(3,5-Diméthylphénoxy)méthyl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 5-[(3,5-dimethylphenoxy)methyl]-, (5S)- [ACD/Index Name]
1665-48-1 [RN]
216-777-6 [EINECS]
Metaxalone [BAN] [INN] [USAN] [Wiki]
UNII-1NMA9J598Y

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

Density: 1.1±0.1 g/cm3
Boiling Point: 453.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.2±20.1 °C
Index of Refraction: 1.525
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.27
ACD/KOC (pH 5.5): 418.38
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.26
ACD/KOC (pH 7.4): 418.38
Polar Surface Area: 48 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 194.3±3.0 cm3

Click to predict properties on the Chemicalize site


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