ChemSpider 2D Image | 4H-Pyrrolo[2,3-d][1,3]oxazole-5-carboxylic acid | C6H4N2O3

4H-Pyrrolo[2,3-d][1,3]oxazole-5-carboxylic acid

  • Molecular FormulaC6H4N2O3
  • Average mass152.108 Da
  • Monoisotopic mass152.022186 Da
  • ChemSpider ID24603249

More details:






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

4H-Pyrrolo[2,3-d][1,3]oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d][1,3]oxazole-5-carboxylic acid [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]oxazole-5-carboxylic acid [ACD/Index Name]
Acide 4H-pyrrolo[2,3-d][1,3]oxazole-5-carboxylique [French] [ACD/IUPAC Name]
1041421-52-6 [RN]
26830-95-5 [RN]
4H-1-Oxa-3,4-diaza-pentalene-5-carboxylic acid
4H-PYRROLO(2,3-D)OXAZOLE-5-CARBOXYLIC ACID
MFCD11501499

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 421.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 208.9±23.2 °C
Index of Refraction: 1.724
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 93.2±3.0 dyne/cm
Molar Volume: 90.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement