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Oxetan-3-ylidene acetaldehyde

  • Name Oxetan-3-ylidene acetaldehyde
  • EINECSN/A
  • CAS No. 922500-93-4
  • Density1.281 g/cm3
  • PSA26.30000
  • LogP0.14190
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H6O2
  • Boiling Point198.859 °C at 760 mmHg
  • Molecular Weight98.1014
  • Flash Point90.232 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 922500-93-4 (oxetan-3-ylidene-acetaldehyde)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data3

Oxetan-3-ylidene acetaldehyde Specification

The Oxetan-3-ylidene acetaldehyde, with the CAS registry number 1716-60-5, is also known as acetaldehyde, 2-(3-oxetanylidene)-. And the molecular formula of this chemical is C5H6O2. What's more, it is also called 2-(3-Oxetanylidene)acetaldehyde.

The physical properties of Oxetan-3-ylidene acetaldehyde are as following: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.228; (5)ACD/KOC (pH 7.4): 13.228; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.609; (11)Molar Refractivity: 26.509 cm3; (12)Molar Volume: 76.551 cm3; (13)Polarizability: 10.509×10-24cm3; (14)Surface Tension: 60.764 dyne/cm; (15)Density: 1.281 g/cm3; (16)Flash Point: 90.232 °C; (17)Enthalpy of Vaporization: 43.506 kJ/mol; (18)Boiling Point: 198.859 °C at 760 mmHg; (19)Vapour Pressure: 0.352 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C(=CC=O)CO1
(2)InChI: InChI=1/C5H6O2/c6-2-1-5-3-7-4-5/h1-2H,3-4H2
(3)InChIKey: YNPWQZQHYRKIRZ-UHFFFAOYAC

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