ChemSpider 2D Image | (4,6-Dioxo-4,6-dihydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)acetic acid | C7H4N2O5

(4,6-Dioxo-4,6-dihydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)acetic acid

  • Molecular FormulaC7H4N2O5
  • Average mass196.117 Da
  • Monoisotopic mass196.012024 Da
  • ChemSpider ID45551971

More details:

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

(4,6-Dioxo-4,6-dihydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)acetic acid [ACD/IUPAC Name]
(4,6-Dioxo-4,6-dihydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)essigsäure [German] [ACD/IUPAC Name]
5H-Pyrrolo[3,4-d]isoxazole-5-acetic acid, 4,6-dihydro-4,6-dioxo- [ACD/Index Name]
Acide (4,6-dioxo-4,6-dihydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)acétique [French] [ACD/IUPAC Name]
1785538-32-0 [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: 472.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 239.5±23.2 °C
Index of Refraction: 1.620
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 91.0±3.0 dyne/cm
Molar Volume: 110.8±3.0 cm3

Click to predict properties on the Chemicalize site


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