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Search term: CEWITRILKBQCMY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(5-Formyl-1,2-oxazol-3-yl)-2-propynoic acid | C7H3NO4

3-(5-Formyl-1,2-oxazol-3-yl)-2-propynoic acid

  • Molecular FormulaC7H3NO4
  • Average mass165.103 Da
  • Monoisotopic mass165.006210 Da
  • ChemSpider ID87037987

More details:

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

2-Propynoic acid, 3-(5-formyl-3-isoxazolyl)- [ACD/Index Name]
3-(5-Formyl-1,2-oxazol-3-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(5-Formyl-1,2-oxazol-3-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(5-formyl-1,2-oxazol-3-yl)-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 453.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 228.1±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 35.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 85.2±5.0 dyne/cm
Molar Volume: 105.7±5.0 cm3

Click to predict properties on the Chemicalize site


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