ChemSpider 2D Image | Methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate | C13H14N2O3

Methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate

  • Molecular FormulaC13H14N2O3
  • Average mass246.262 Da
  • Monoisotopic mass246.100449 Da
  • ChemSpider ID35035069

More details:






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

3-Amino-5-(3,5-diméthyl-1,2-oxazol-4-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-5-(3,5-dimethyl-4-isoxazolyl)-, methyl ester [ACD/Index Name]
Methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate [ACD/IUPAC Name]
Methyl-3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoat [German] [ACD/IUPAC Name]
36Z

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 435.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.0±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.81
ACD/KOC (pH 5.5): 250.98
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.85
ACD/KOC (pH 7.4): 251.47
Polar Surface Area: 78 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 203.5±3.0 cm3

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