ChemSpider 2D Image | 4,4-Dihydroxy-2-(nitromethyl)butanoic acid | C5H9NO6

4,4-Dihydroxy-2-(nitromethyl)butanoic acid

  • Molecular FormulaC5H9NO6
  • Average mass179.128 Da
  • Monoisotopic mass179.042984 Da
  • ChemSpider ID96502411

More details:

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

4,4-Dihydroxy-2-(nitromethyl)butanoic acid [ACD/IUPAC Name]
4,4-Dihydroxy-2-(nitromethyl)butansäure [German] [ACD/IUPAC Name]
Acide 4,4-dihydroxy-2-(nitrométhyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4,4-dihydroxy-2-(nitromethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 418.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±6.0 kJ/mol
Flash Point: 192.7±17.2 °C
Index of Refraction: 1.539
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 78.1±3.0 dyne/cm
Molar Volume: 114.2±3.0 cm3

Click to predict properties on the Chemicalize site


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