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Search term: MBBUAYGAOIYKHW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-1-(4-Hydroxyphenyl)-5-methyl-3-oxo-2-hexanyl acetate | C15H20O4

(2S)-1-(4-Hydroxyphenyl)-5-methyl-3-oxo-2-hexanyl acetate

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID28288037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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(2S)-1-(4-Hydroxyphenyl)-5-methyl-3-oxo-2-hexanyl acetate [ACD/IUPAC Name]
(2S)-1-(4-Hydroxyphenyl)-5-methyl-3-oxo-2-hexanyl-acetat [German] [ACD/IUPAC Name]
3-Hexanone, 2-(acetyloxy)-1-(4-hydroxyphenyl)-5-methyl-, (2S)- [ACD/Index Name]
Acétate de (2S)-1-(4-hydroxyphényl)-5-méthyl-3-oxo-2-hexanyle [French] [ACD/IUPAC Name]
actinopolymorphol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 402.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 144.6±19.4 °C
Index of Refraction: 1.517
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.65
ACD/KOC (pH 5.5): 813.16
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.32
ACD/KOC (pH 7.4): 809.87
Polar Surface Area: 64 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 237.6±3.0 cm3

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