Cas no 104216-84-4 (1,3-Dioxane,5-methoxy-2-phenyl-)

1,3-Dioxane,5-methoxy-2-phenyl- structure
104216-84-4 structure
Product Name:1,3-Dioxane,5-methoxy-2-phenyl-
CAS No:104216-84-4
MF:C11H14O3
MW:194.227063655853
CID:168386
PubChem ID:128514
Update Time:2025-04-19

1,3-Dioxane,5-methoxy-2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxane,5-methoxy-2-phenyl-
    • 1,3-Dioxane,5-methoxy-2-phenyl-(9CI)
    • 5-methoxy-2-phenyl-1,3-dioxane
    • 2-M-1,3-Oobg
    • 2-methyl 1,3-benzylidine glycerol
    • 2-O-Methyl-1,3-O,O-benzylideneglycerol
    • 2-phenyl-5-methoxy-1,3-dioxane
    • 5-methoxy-2-phenyl-[1,3]dioxane
    • AC1L2TXF
    • SureCN2362848
    • SureCN2672197
    • SureCN9613971
    • 104216-84-4
    • 1,3-Dioxane, 5-methoxy-2-phenyl-
    • SCHEMBL2672197
    • DTXSID30146349
    • SCHEMBL2362848
    • SCHEMBL9613971
    • VGRWLSCCYCJYST-UHFFFAOYSA-N
    • AKOS006371149
    • Inchi: 1S/C11H14O3/c1-12-10-7-13-11(14-8-10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
    • InChI Key: VGRWLSCCYCJYST-UHFFFAOYSA-N
    • SMILES: O1CC(COC1C1C=CC=CC=1)OC

Computed Properties

  • Exact Mass: 194.09432
  • Monoisotopic Mass: 194.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.2
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • PSA: 27.69
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