ChemSpider 2D Image | 4-Oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid | C6H3N3O4

4-Oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid

  • Molecular FormulaC6H3N3O4
  • Average mass181.106 Da
  • Monoisotopic mass181.012360 Da
  • ChemSpider ID22958667

More details:

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

4-Oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidin-3-carbonsäure [German] [ACD/IUPAC Name]
4-Oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylique [French] [ACD/IUPAC Name]
Isoxazolo[5,4-d]pyrimidine-3-carboxylic acid, 4,5-dihydro-4-oxo- [ACD/Index Name]
1031555-77-7 [RN]
4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid

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

Density: 2.1±0.1 g/cm3
Boiling Point: 649.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 346.8±27.3 °C
Index of Refraction: 1.863
Molar Refractivity: 38.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.23
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): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 106.7±7.0 dyne/cm
Molar Volume: 84.6±7.0 cm3

Click to predict properties on the Chemicalize site


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