ChemSpider 2D Image | Methyl hydroxy(1-methyl-5-tetrazolidinyl)acetate | C5H12N4O3

Methyl hydroxy(1-methyl-5-tetrazolidinyl)acetate

  • Molecular FormulaC5H12N4O3
  • Average mass176.174 Da
  • Monoisotopic mass176.090942 Da
  • ChemSpider ID109414726

More details:

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

5-Tetrazolidineacetic acid, α-hydroxy-1-methyl-, methyl ester [ACD/Index Name]
Hydroxy(1-méthyl-5-tétrazolidinyl)acétate de méthyle [French] [ACD/IUPAC Name]
Methyl hydroxy(1-methyl-5-tetrazolidinyl)acetate [ACD/IUPAC Name]
Methyl-hydroxy(1-methyl-5-tetrazolidinyl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 259.6±36.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.8±6.0 kJ/mol
Flash Point: 110.8±26.2 °C
Index of Refraction: 1.481
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.11
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.08
Polar Surface Area: 86 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 141.0±3.0 cm3

Click to predict properties on the Chemicalize site


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