ChemSpider 2D Image | 3,5-Dioxo-1,2,4-triazolidine-4-butanoic acid | C6H9N3O4

3,5-Dioxo-1,2,4-triazolidine-4-butanoic acid

  • Molecular FormulaC6H9N3O4
  • Average mass187.153 Da
  • Monoisotopic mass187.059311 Da
  • ChemSpider ID50075038

More details:

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

1,2,4-Triazolidine-4-butanoic acid, 3,5-dioxo- [ACD/Index Name]
3,5-Dioxo-1,2,4-triazolidine-4-butanoic acid
4-(3,5-Dioxo-1,2,4-triazolidin-4-yl)butanoic acid [ACD/IUPAC Name]
4-(3,5-Dioxo-1,2,4-triazolidin-4-yl)butansäure [German] [ACD/IUPAC Name]
78409-62-8 [RN]
Acide 4-(3,5-dioxo-1,2,4-triazolidin-4-yl)butanoïque [French] [ACD/IUPAC Name]
MFCD24502259

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.526
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 130.1±3.0 cm3

Click to predict properties on the Chemicalize site


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