Cas no 920318-18-9 (4-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-one)

4-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-one structure
920318-18-9 structure
Product Name:4-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-one
CAS No:920318-18-9
MF:C14H14O5
MW:262.257964611053
CID:757494
PubChem ID:71424202
Update Time:2024-03-01

4-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-one Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-2-one, 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-
    • 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyran-2-one
    • 6-(4-hydroxy-3-methoxyphenethyl)-4-hydroxy-2h-pyran-2-one
    • 4-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-one
    • Inchi: 1S/C14H14O5/c1-18-13-6-9(3-5-12(13)16)2-4-11-7-10(15)8-14(17)19-11/h3,5-8,15-16H,2,4H2,1H3
    • InChI Key: ZYBFUUDPVCAZCH-UHFFFAOYSA-N
    • SMILES: O1C(C=C(C=C1CCC1C=CC(=C(C=1)OC)O)O)=O

Computed Properties

  • Exact Mass: 262.08412354g/mol
  • Monoisotopic Mass: 262.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 399
  • 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
  • Topological Polar Surface Area: 76
  • XLogP3: 2
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