ChemSpider 2D Image | (3-Oxo-1,2,4-triazolidin-4-yl)malonic acid | C5H7N3O5

(3-Oxo-1,2,4-triazolidin-4-yl)malonic acid

  • Molecular FormulaC5H7N3O5
  • Average mass189.126 Da
  • Monoisotopic mass189.038574 Da
  • ChemSpider ID61561386

More details:

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

(3-Oxo-1,2,4-triazolidin-4-yl)malonic acid [ACD/IUPAC Name]
(3-Oxo-1,2,4-triazolidin-4-yl)malonsäure [German] [ACD/IUPAC Name]
Acide (3-oxo-1,2,4-triazolidin-4-yl)malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-(3-oxo-1,2,4-triazolidin-4-yl)- [ACD/Index Name]
1934703-96-4 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 109.7±3.0 cm3

Click to predict properties on the Chemicalize site


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