ChemSpider 2D Image | 2-Hydroxy-1-(4-hydroxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-one | C13H13NO3

2-Hydroxy-1-(4-hydroxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-one

  • Molecular FormulaC13H13NO3
  • Average mass231.247 Da
  • Monoisotopic mass231.089539 Da
  • ChemSpider ID90644328

More details:

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

2-Hydroxy-1-(4-hydroxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-on [German] [ACD/IUPAC Name]
2-Hydroxy-1-(4-hydroxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-one [ACD/IUPAC Name]
2-Hydroxy-1-(4-hydroxyphényl)-5,6,7,7a-tétrahydro-3H-pyrrolizin-3-one [French] [ACD/IUPAC Name]
3H-Pyrrolizin-3-one, 5,6,7,7a-tetrahydro-2-hydroxy-1-(4-hydroxyphenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 525.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.5±30.1 °C
Index of Refraction: 1.700
Molar Refractivity: 61.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.98
ACD/KOC (pH 5.5): 109.80
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.96
ACD/KOC (pH 7.4): 109.39
Polar Surface Area: 61 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 159.3±5.0 cm3

Click to predict properties on the Chemicalize site


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