ChemSpider 2D Image | Benzyl (3-oxocyclobutyl)acetate | C13H14O3

Benzyl (3-oxocyclobutyl)acetate

  • Molecular FormulaC13H14O3
  • Average mass218.249 Da
  • Monoisotopic mass218.094299 Da
  • ChemSpider ID28534935

More details:

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

(3-Oxocyclobutyl)acétate de benzyle [French] [ACD/IUPAC Name]
862307-21-9 [RN]
Benzyl (3-oxocyclobutyl)acetate [ACD/IUPAC Name]
Benzyl 2-(3-oxocyclobutyl)acetate
Benzyl-(3-oxocyclobutyl)acetat [German] [ACD/IUPAC Name]
Cyclobutaneacetic acid, 3-oxo-, phenylmethyl ester [ACD/Index Name]
[4-[(tert-butoxycarbonylamino)methyl]phenyl]boronic acid;4-(N-Boc-aminomethyl)phenylboronic acid pinacol ester
[862307-21-9] [RN]
1823317-05-0 [RN]
Benzyl2-(3-oxocyclobutyl)acetate
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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: 337.7±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.1±3.0 kJ/mol
    Flash Point: 148.7±20.4 °C
    Index of Refraction: 1.546
    Molar Refractivity: 58.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): 1.80
    ACD/BCF (pH 5.5): 13.78
    ACD/KOC (pH 5.5): 227.61
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 13.78
    ACD/KOC (pH 7.4): 227.61
    Polar Surface Area: 43 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 185.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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