ChemSpider 2D Image | 3-Hydroxy-beta,beta-caroten-4-one | C40H54O2

3-Hydroxy-β,β-caroten-4-one

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID8296099
  • Double-bond stereo - Double-bond stereo


More details:






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

3-Hydroxy-β,β-caroten-4-one [ACD/IUPAC Name]
3-Hydroxy-β,β-carotén-4-one [French] [ACD/IUPAC Name]
3-Hydroxy-β,β-carotin-4-on [German] [ACD/IUPAC Name]
β,β-Caroten-4-one, 3-hydroxy- [ACD/Index Name]
3-hydroxy-4-keto-&β;,&β;-carotene
3-hydroxyechinenone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 713.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 291.3±25.5 °C
Index of Refraction: 1.580
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.84
ACD/LogD (pH 5.5): 10.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 563.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement