ChemSpider 2D Image | 2-Hydroxy-3-nitropropanal | C3H5NO4

2-Hydroxy-3-nitropropanal

  • Molecular FormulaC3H5NO4
  • Average mass119.076 Da
  • Monoisotopic mass119.021858 Da
  • ChemSpider ID62153796

More details:

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

2-Hydroxy-3-nitropropanal [German] [ACD/IUPAC Name]
2-Hydroxy-3-nitropropanal [ACD/IUPAC Name]
2-Hydroxy-3-nitropropanal [French] [ACD/IUPAC Name]
Propanal, 2-hydroxy-3-nitro- [ACD/Index Name]
3-nitrolactaldehyde
876481-31-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 262.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.0±6.0 kJ/mol
Flash Point: 127.3±14.4 °C
Index of Refraction: 1.462
Molar Refractivity: 23.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.40
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.67
Polar Surface Area: 83 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 86.0±3.0 cm3

Click to predict properties on the Chemicalize site


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