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Search term: MACLJBZULJMDHY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Amino-4-hydroxy-4H-1,2-oxazete-3-carbonitrile 2-oxide | C3H3N3O3

4-Amino-4-hydroxy-4H-1,2-oxazete-3-carbonitrile 2-oxide

  • Molecular FormulaC3H3N3O3
  • Average mass129.074 Da
  • Monoisotopic mass129.017441 Da
  • ChemSpider ID32978997

More details:

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

2-Oxyde de 4-amino-4-hydroxy-4H-1,2-oxazète-3-carbonitrile [French] [ACD/IUPAC Name]
4-Amino-4-hydroxy-4H-1,2-oxazet-3-carbonitril-2-oxid [German] [ACD/IUPAC Name]
4-Amino-4-hydroxy-4H-1,2-oxazete-3-carbonitrile 2-oxide [ACD/IUPAC Name]
4H-1,2-Oxazete-3-carbonitrile, 4-amino-4-hydroxy-, 2-oxide [ACD/Index Name]
1314974-15-6 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 321.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.3±6.0 kJ/mol
Flash Point: 148.4±30.7 °C
Index of Refraction: 1.667
Molar Refractivity: 26.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.76
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 109.7±5.0 dyne/cm
Molar Volume: 70.2±5.0 cm3

Click to predict properties on the Chemicalize site


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