ChemSpider 2D Image | Ethyl [3-(nitromethyl)-3-oxetanyl]acetate | C8H13NO5

Ethyl [3-(nitromethyl)-3-oxetanyl]acetate

  • Molecular FormulaC8H13NO5
  • Average mass203.193 Da
  • Monoisotopic mass203.079376 Da
  • ChemSpider ID23499669

More details:

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

[3-(Nitrométhyl)-3-oxétanyl]acétate d'éthyle [French] [ACD/IUPAC Name]
1045709-38-3 [RN]
3-Oxetaneacetic acid, 3-(nitromethyl)-, ethyl ester [ACD/Index Name]
Ethyl [3-(nitromethyl)-3-oxetanyl]acetate [ACD/IUPAC Name]
Ethyl [3-(nitromethyl)oxetan-3-yl]acetate
ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate
Ethyl-[3-(nitromethyl)-3-oxetanyl]acetat [German] [ACD/IUPAC Name]
(3-Nitromethyloxetan-3-yl)acetic acid ethyl ester
Ethyl 2-(3-(nitromethyl)oxetan-3-yl)acetate
ETHYL2-(3-(NITROMETHYL)OXETAN-3-YL)ACETATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 301.5±7.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.2±3.0 kJ/mol
    Flash Point: 135.9±20.2 °C
    Index of Refraction: 1.464
    Molar Refractivity: 46.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.55
    ACD/LogD (pH 5.5): 0.82
    ACD/BCF (pH 5.5): 2.49
    ACD/KOC (pH 5.5): 66.92
    ACD/LogD (pH 7.4): 0.75
    ACD/BCF (pH 7.4): 2.09
    ACD/KOC (pH 7.4): 55.97
    Polar Surface Area: 81 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 46.8±3.0 dyne/cm
    Molar Volume: 168.4±3.0 cm3

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