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

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

  • Molecular FormulaC7H4N2O5
  • Average mass196.117 Da
  • Monoisotopic mass196.012024 Da
  • ChemSpider ID37653966

More details:

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

(4,6-Dioxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazol-3-yl)acetic acid [ACD/IUPAC Name]
(4,6-Dioxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazol-3-yl)essigsäure [German] [ACD/IUPAC Name]
4H-Pyrrolo[3,4-d]isoxazole-3-acetic acid, 5,6-dihydro-4,6-dioxo- [ACD/Index Name]
Acide (4,6-dioxo-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazol-3-yl)acétique [French] [ACD/IUPAC Name]
1540114-40-6 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 90.5±3.0 dyne/cm
Molar Volume: 111.0±3.0 cm3

Click to predict properties on the Chemicalize site


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