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Search term: QIBVLSLOHQJUNF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid | C12H11NO3

3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid

  • Molecular FormulaC12H11NO3
  • Average mass217.221 Da
  • Monoisotopic mass217.073898 Da
  • ChemSpider ID26527370

More details:

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

3-(3-Phenyl-1,2-oxazol-5-yl)propanoic acid [ACD/IUPAC Name]
3-(3-Phenyl-1,2-oxazol-5-yl)propansäure [German] [ACD/IUPAC Name]
5-Isoxazolepropanoic acid, 3-phenyl- [ACD/Index Name]
Acide 3-(3-phényl-1,2-oxazol-5-yl)propanoïque [French] [ACD/IUPAC Name]
3-(3-phenylisoxazol-5-yl)propanoic acid
61656-43-7 [RN]
MFCD24481939

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

Density: 1.2±0.1 g/cm3
Boiling Point: 420.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 208.4±24.6 °C
Index of Refraction: 1.566
Molar Refractivity: 57.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.87
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 174.7±3.0 cm3

Click to predict properties on the Chemicalize site


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