ChemSpider 2D Image | stachyline A (E) | C13H17NO3

stachyline A (E)

  • Molecular FormulaC13H17NO3
  • Average mass235.279 Da
  • Monoisotopic mass235.120850 Da
  • ChemSpider ID27026043

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{4-[(2E)-2-(Hydroxyimino)ethyl]phenoxy}-3-methyl-3-buten-2-ol [German] [ACD/IUPAC Name]
(2S)-1-{4-[(2E)-2-(Hydroxyimino)ethyl]phenoxy}-3-methyl-3-buten-2-ol [ACD/IUPAC Name]
(2S)-1-{4-[(2E)-2-(Hydroxyimino)éthyl]phénoxy}-3-méthyl-3-butén-2-ol [French] [ACD/IUPAC Name]
Benzeneacetaldehyde, 4-[[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]oxy]-, oxime [ACD/Index Name]
stachyline A (E)
stachyline 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: 433.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.8±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 65.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.23
ACD/KOC (pH 5.5): 436.45
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.22
ACD/KOC (pH 7.4): 436.36
Polar Surface Area: 62 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 37.1±7.0 dyne/cm
Molar Volume: 217.4±7.0 cm3

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