Found 47 results

Search term: MF = 'C_{4}H_{3}N_{3}O'
ChemSpider 2D Image | 5-Methyl-1,3,4-oxadiazole-2-carbonitrile | C4H3N3O

5-Methyl-1,3,4-oxadiazole-2-carbonitrile

  • Molecular FormulaC4H3N3O
  • Average mass109.086 Da
  • Monoisotopic mass109.027611 Da
  • ChemSpider ID27756205

More details:

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

1,3,4-Oxadiazole-2-carbonitrile, 5-methyl- [ACD/Index Name]
5-Methyl-1,3,4-oxadiazol-2-carbonitril [German] [ACD/IUPAC Name]
5-Methyl-1,3,4-oxadiazole-2-carbonitrile [ACD/IUPAC Name]
5-Méthyl-1,3,4-oxadiazole-2-carbonitrile [French] [ACD/IUPAC Name]
905971-95-1 [RN]
MFCD27986270 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 208.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 79.7±22.6 °C
Index of Refraction: 1.485
Molar Refractivity: 24.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.82
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.82
Polar Surface Area: 63 Å2
Polarizability: 9.5±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 83.9±5.0 cm3

Click to predict properties on the Chemicalize site


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