ChemSpider 2D Image | (2R)-2-Hydroxy-1-(2,4,5-trimethoxyphenyl)-1-propanone | C12H16O5

(2R)-2-Hydroxy-1-(2,4,5-trimethoxyphenyl)-1-propanone

  • Molecular FormulaC12H16O5
  • Average mass240.252 Da
  • Monoisotopic mass240.099777 Da
  • ChemSpider ID28425490

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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(2R)-2-Hydroxy-1-(2,4,5-trimethoxyphenyl)-1-propanon [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-1-(2,4,5-trimethoxyphenyl)-1-propanone [ACD/IUPAC Name]
(2R)-2-Hydroxy-1-(2,4,5-triméthoxyphényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 2-hydroxy-1-(2,4,5-trimethoxyphenyl)-, (2R)- [ACD/Index Name]
(2R)-2-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-1-one
[1229005-35-9] [RN]
1229005-35-9 [RN]
MFCD20261045
Tatariid A
Tatarinoid A

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 384.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 144.8±20.0 °C
    Index of Refraction: 1.514
    Molar Refractivity: 62.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 5.53
    ACD/KOC (pH 5.5): 118.42
    ACD/LogD (pH 7.4): 1.28
    ACD/BCF (pH 7.4): 5.53
    ACD/KOC (pH 7.4): 118.42
    Polar Surface Area: 65 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 38.5±3.0 dyne/cm
    Molar Volume: 207.4±3.0 cm3

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