Cas no 552311-66-7 (4,5-Dimethoxy-2-[(prop-2-yn-1-yl)oxy]benzaldehyde)

4,5-Dimethoxy-2-[(prop-2-yn-1-yl)oxy]benzaldehyde structure
552311-66-7 structure
Product Name:4,5-Dimethoxy-2-[(prop-2-yn-1-yl)oxy]benzaldehyde
CAS No:552311-66-7
MF:C12H12O4
MW:220.221283912659
CID:2831619
PubChem ID:71441585
Update Time:2025-04-21

4,5-Dimethoxy-2-[(prop-2-yn-1-yl)oxy]benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 552311-66-7
    • DTXSID70850514
    • 4,5-Dimethoxy-2-[(prop-2-yn-1-yl)oxy]benzaldehyde
    • Inchi: 1S/C12H12O4/c1-4-5-16-10-7-12(15-3)11(14-2)6-9(10)8-13/h1,6-8H,5H2,2-3H3
    • InChI Key: BGTLQCFYLTURCB-UHFFFAOYSA-N
    • SMILES: O(CC#C)C1C=C(C(=CC=1C=O)OC)OC

Computed Properties

  • Exact Mass: 220.07355886Da
  • Monoisotopic Mass: 220.07355886Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 267
  • 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: 1.4
  • Topological Polar Surface Area: 44.8?2
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