Cas no 79440-81-6 (Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy-)

Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy- structure
79440-81-6 structure
Product Name:Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy-
CAS No:79440-81-6
MF:C12H14O4
MW:222.237164020538
CID:532834
PubChem ID:25200581
Update Time:2025-04-19

Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy-
    • 3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl acetate
    • SCHEMBL2908854
    • 3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-EN-1-YL ACETATE
    • 79440-81-6
    • DTXSID20649056
    • Inchi: 1S/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3
    • InChI Key: XLZFUNZRKIQHOL-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC(C=CCOC(C)=O)=C1)O

Computed Properties

  • Exact Mass: 222.08920892g/mol
  • Monoisotopic Mass: 222.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 249
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2
  • Topological Polar Surface Area: 55.8?2
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