ChemSpider 2D Image | 2-Oxa-1,3,6-triazabicyclo[3.1.0]hex-3-ene-4-carboxylic acid | C3H3N3O3

2-Oxa-1,3,6-triazabicyclo[3.1.0]hex-3-ene-4-carboxylic acid

  • Molecular FormulaC3H3N3O3
  • Average mass129.074 Da
  • Monoisotopic mass129.017441 Da
  • ChemSpider ID32995881

More details:

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

2-Oxa-1,3,6-triazabicyclo[3.1.0]hex-3-en-4-carbonsäure [German] [ACD/IUPAC Name]
2-Oxa-1,3,6-triazabicyclo[3.1.0]hex-3-ene-4-carboxylic acid [ACD/Index Name] [ACD/IUPAC Name]
Acide 2-oxa-1,3,6-triazabicyclo[3.1.0]hex-3-ène-4-carboxylique [French] [ACD/IUPAC Name]
1314978-51-2 [RN]

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

Density: 2.9±0.1 g/cm3
Boiling Point: 237.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.2±6.0 kJ/mol
Flash Point: 97.4±22.6 °C
Index of Refraction: 2.143
Molar Refractivity: 24.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -3.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 9.7±0.5 10-24cm3
Surface Tension: 182.3±7.0 dyne/cm
Molar Volume: 44.8±7.0 cm3

Click to predict properties on the Chemicalize site


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