Cas no 656810-15-0 (Benzaldehyde, 3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]-)

Benzaldehyde, 3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]- structure
656810-15-0 structure
Product Name:Benzaldehyde, 3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]-
CAS No:656810-15-0
MF:C21H26O5
MW:358.428146839142
CID:397651
PubChem ID:71375506
Update Time:2025-04-19

Benzaldehyde, 3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]-
    • 3-ethoxy-4-[3-(3-phenoxypropoxy)propoxy]benzaldehyde
    • 656810-15-0
    • DTXSID90798242
    • Inchi: 1S/C21H26O5/c1-2-24-21-16-18(17-22)10-11-20(21)26-15-7-13-23-12-6-14-25-19-8-4-3-5-9-19/h3-5,8-11,16-17H,2,6-7,12-15H2,1H3
    • InChI Key: WGQUSSMUJJAKRC-UHFFFAOYSA-N
    • SMILES: O(CCCOC1C=CC=CC=1)CCCOC1C=CC(C=O)=CC=1OCC

Computed Properties

  • Exact Mass: 358.17808
  • Monoisotopic Mass: 358.17802393g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 13
  • Complexity: 356
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 54?2

Experimental Properties

  • PSA: 53.99
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