Found 2 results

Search term: ZERQSEZWCWJXTC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4E)-4-(Hydroxymethylene)-3-methyl-1,2-oxazol-5(4H)-one | C5H5NO3

(4E)-4-(Hydroxymethylene)-3-methyl-1,2-oxazol-5(4H)-one

  • Molecular FormulaC5H5NO3
  • Average mass127.098 Da
  • Monoisotopic mass127.026939 Da
  • ChemSpider ID60999487

More details:

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

(4E)-4-(Hydroxymethylen)-3-methyl-1,2-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
(4E)-4-(Hydroxymethylene)-3-methyl-1,2-oxazol-5(4H)-one [ACD/IUPAC Name]
(4E)-4-(Hydroxyméthylène)-3-méthyl-1,2-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Isoxazolone, 4-(hydroxymethylene)-3-methyl-, (4E)- [ACD/Index Name]
98027-60-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 162.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.7 mmHg at 25°C
Enthalpy of Vaporization: 46.5±6.0 kJ/mol
Flash Point: 52.2±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 29.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 89.2±7.0 cm3

Click to predict properties on the Chemicalize site


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