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Search term: ZJKJPVOOYVJWFU-ZBFHGGJFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-deoxyaflaquinolone E | C16H15NO3

6-deoxyaflaquinolone E

  • Molecular FormulaC16H15NO3
  • Average mass269.295 Da
  • Monoisotopic mass269.105194 Da
  • ChemSpider ID30771183

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-4-Hydroxy-3-methoxy-4-phenyl-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
(3S,4S)-4-Hydroxy-3-méthoxy-4-phényl-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
(3S,4S)-4-Hydroxy-3-methoxy-4-phenyl-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
2(1H)-Quinolinone, 3,4-dihydro-4-hydroxy-3-methoxy-4-phenyl-, (3S,4S)- [ACD/Index Name]
6-deoxyaflaquinolone E
6-deoxyaflaquinolone D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 490.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.7±28.7 °C
Index of Refraction: 1.648
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.15
ACD/KOC (pH 5.5): 220.04
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.15
ACD/KOC (pH 7.4): 220.04
Polar Surface Area: 59 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 206.1±5.0 cm3

Click to predict properties on the Chemicalize site


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