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2-([1,3]Dioxolan-2-ylmethoxy)-benzaldehyde

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  • Name 2-([1,3]Dioxolan-2-ylmethoxy)-benzaldehyde
  • EINECSN/A
  • CAS No. 23145-22-4
  • Density1.211 g/cm3
  • PSA44.76000
  • LogP1.25080
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H12O4
  • Boiling Point349.5 °C at 760 mmHg
  • Molecular Weight208.21
  • Flash Point156.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 23145-22-4 (2-([1,3]Dioxolan-2-ylmethoxy)-benzaldehyde)
  • Hazard SymbolsN/A
  • SynonymsN/A

2-([1,3]Dioxolan-2-ylmethoxy)-benzaldehyde Specification

This chemical is called 2-([1,3]Dioxolan-2-ylmethoxy)-benzaldehyde, and its IUPAC name is 2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde. With the molecular formula of C11H12O4, its molecular weight is 208.21. The CAS registry number of this chemical is 23145-22-4.

Other characteristics of the 2-([1,3]Dioxolan-2-ylmethoxy)-benzaldehyde can be summarised as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.38; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 64.83; (8)ACD/KOC (pH 7.4): 64.83; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 54.74 cm3; (15)Molar Volume: 171.9 cm3; (16)Polarizability: 21.7×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 156.4 °C; (20)Enthalpy of Vaporization: 59.4 kJ/mol; (21)Boiling Point: 349.5 °C at 760 mmHg; (22)Vapour Pressure: 4.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=Cc2ccccc2OCC1OCCO1
2.InChI: InChI=1/C11H12O4/c12-7-9-3-1-2-4-10(9)15-8-11-13-5-6-14-11/h1-4,7,11H,5-6,8H2
3.InChIKey: POZGDWZGRFXBAP-UHFFFAOYAK

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