ChemSpider 2D Image | (1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(4-hydroxyphenyl)acrylate | C19H24O3

(1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC19H24O3
  • Average mass300.392 Da
  • Monoisotopic mass300.172546 Da
  • ChemSpider ID28287482

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
(1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
(2E)-3-(4-Hydroxyphényl)acrylate de (1S,2R,4S)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, (2E)- [ACD/Index Name]
(1S,2R,4S)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
[55511-08-5] [RN]
55511-08-5 [RN]
Biondinin C
MFCD20260887
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 412.2±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.1±3.0 kJ/mol
    Flash Point: 164.0±14.5 °C
    Index of Refraction: 1.574
    Molar Refractivity: 86.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.07
    ACD/LogD (pH 5.5): 4.59
    ACD/BCF (pH 5.5): 1819.83
    ACD/KOC (pH 5.5): 7501.00
    ACD/LogD (pH 7.4): 4.59
    ACD/BCF (pH 7.4): 1810.59
    ACD/KOC (pH 7.4): 7462.94
    Polar Surface Area: 47 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 46.8±5.0 dyne/cm
    Molar Volume: 260.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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