ChemSpider 2D Image | 4-Ethynyl-3,5-dimethylisoxazole | C7H7NO

4-Ethynyl-3,5-dimethylisoxazole

  • Molecular FormulaC7H7NO
  • Average mass121.137 Da
  • Monoisotopic mass121.052765 Da
  • ChemSpider ID24722607

More details:

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

4-Ethinyl-3,5-dimethyl-1,2-oxazol [German] [ACD/IUPAC Name]
4-Ethynyl-3,5-dimethyl-1,2-oxazole [ACD/IUPAC Name]
4-Éthynyl-3,5-diméthyl-1,2-oxazole [French] [ACD/IUPAC Name]
4-ethynyl-3,5-dimethyl-isoxazole
4-Ethynyl-3,5-dimethylisoxazole
668970-91-0 [RN]
Isoxazole, 4-ethynyl-3,5-dimethyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4515972/
MFCD08703589

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

Density: 1.1±0.1 g/cm3
Boiling Point: 210.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.8±3.0 kJ/mol
Flash Point: 77.5±15.0 °C
Index of Refraction: 1.493
Molar Refractivity: 33.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.82
ACD/KOC (pH 5.5): 137.50
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.82
ACD/KOC (pH 7.4): 137.50
Polar Surface Area: 26 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 114.7±5.0 cm3

Click to predict properties on the Chemicalize site


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