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2-Phenyl-1,4-dioxaspiro[4.4]nonane

  • Name 2-Phenyl-1,4-dioxaspiro[4.4]nonane
  • EINECSN/A
  • CAS No. 55668-46-7
  • Density1.12 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC13H16O2
  • Boiling Point317.3 °C at 760 mmHg
  • Molecular Weight204.26
  • Flash Point156.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 55668-46-7 (2-Phenyl-1,4-dioxaspiro[4.4]nonane)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

2-Phenyl-1,4-dioxaspiro[4.4]nonane Specification

With the CAS registry number 55668-46-7, this chemical's molecular formula is C13H16O2 and molecular weight is 204.26. What's more, its systematic name is 2-Phenyl-1,4-dioxaspiro[4.4]nonane.

Physical properties of 2-Phenyl-1,4-dioxaspiro[4.4]nonane are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 58.54 cm3; (9)Molar Volume: 181 cm3; (10)Polarizability: 23.21×10-24 cm3; (11)Surface Tension: 41.6 dyne/cm; (12)Density: 1.12 g/cm3; (13)Flash Point: 156.5 °C; (14)Enthalpy of Vaporization: 53.64 kJ/mol; (15)Boiling Point: 317.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000724 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1CC(OC12CCCC2)c3ccccc3
(2)InChI: InChI=1S/C13H16O2/c1-2-6-11(7-3-1)12-10-14-13(15-12)8-4-5-9-13/h1-3,6-7,12H,4-5,8-10H2
(3)InChIKey: WFYWECISNAABSO-UHFFFAOYSA-N

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