ChemSpider 2D Image | 3-Ethynyl-5-[(3-hydroxy-1,2-oxazol-4-yl)ethynyl]benzoic acid | C14H7NO4

3-Ethynyl-5-[(3-hydroxy-1,2-oxazol-4-yl)ethynyl]benzoic acid

  • Molecular FormulaC14H7NO4
  • Average mass253.210 Da
  • Monoisotopic mass253.037506 Da
  • ChemSpider ID83919006

More details:

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

3-Ethinyl-5-[(3-hydroxy-1,2-oxazol-4-yl)ethinyl]benzoesäure [German] [ACD/IUPAC Name]
3-Ethynyl-5-[(3-hydroxy-1,2-oxazol-4-yl)ethynyl]benzoic acid [ACD/IUPAC Name]
Acide 3-éthynyl-5-[(3-hydroxy-1,2-oxazol-4-yl)éthynyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-ethynyl-5-[2-(3-hydroxy-4-isoxazolyl)ethynyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 553.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 63.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.54
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 94.9±5.0 dyne/cm
Molar Volume: 166.3±5.0 cm3

Click to predict properties on the Chemicalize site


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