ChemSpider 2D Image | {4-[(E)-(Hydroxyimino)methyl]-5-oxido-1,2,5-oxadiazol-3-yl}methanol | C4H5N3O4

{4-[(E)-(Hydroxyimino)methyl]-5-oxido-1,2,5-oxadiazol-3-yl}methanol

  • Molecular FormulaC4H5N3O4
  • Average mass159.100 Da
  • Monoisotopic mass159.028000 Da
  • ChemSpider ID23330796

  • Double-bond stereo - Double-bond stereo

More details:

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

{4-[(E)-(Hydroxyimino)methyl]-5-oxido-1,2,5-oxadiazol-3-yl}methanol [ACD/IUPAC Name]
{4-[(E)-(Hydroxyimino)methyl]-5-oxido-1,2,5-oxadiazol-3-yl}methanol [German] [ACD/IUPAC Name]
{4-[(E)-(Hydroxyimino)méthyl]-5-oxydo-1,2,5-oxadiazol-3-yl}méthanol [French] [ACD/IUPAC Name]
1,2,5-Oxadiazole-3-carboxaldehyde, 4-(hydroxymethyl)-, oxime, 2-oxide [ACD/Index Name]
4-Hydroxymethyl-2-oxy-furazan-3-carbaldehyde oxime

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

Density: 1.8±0.1 g/cm3
Boiling Point: 410.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 201.9±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 32.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.11
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.00
Polar Surface Area: 104 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 84.9±7.0 dyne/cm
Molar Volume: 86.9±7.0 cm3

Click to predict properties on the Chemicalize site


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