ChemSpider 2D Image | Benzyl cis-3-hydroxycyclobutanecarboxylate | C12H14O3

Benzyl cis-3-hydroxycyclobutanecarboxylate

  • Molecular FormulaC12H14O3
  • Average mass206.238 Da
  • Monoisotopic mass206.094299 Da
  • ChemSpider ID32688592

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

552849-32-8 [RN]
benzyl (1s,3s)-3-hydroxycyclobutane-1-carboxylate
Benzyl cis-3-hydroxycyclobutanecarboxylate [ACD/IUPAC Name]
Benzyl-cis-3-hydroxycyclobutancarboxylat [German] [ACD/IUPAC Name]
cis-3-Hydroxycyclobutanecarboxylate de benzyle [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-hydroxy-, phenylmethyl ester, cis- [ACD/Index Name]
95%
Benzyl cis-3-hydroxycyclobutane carboxylate
Chemistry 16977
MFCD20441969

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 326.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 60.0±3.0 kJ/mol
    Flash Point: 137.8±18.7 °C
    Index of Refraction: 1.582
    Molar Refractivity: 55.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.67
    ACD/KOC (pH 5.5): 202.00
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.67
    ACD/KOC (pH 7.4): 202.00
    Polar Surface Area: 47 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 166.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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