Cas no 75743-71-4 (2H-Pyran-2-one, 3,4-dimethoxy-6-methyl-)

2H-Pyran-2-one, 3,4-dimethoxy-6-methyl- structure
75743-71-4 structure
Product Name:2H-Pyran-2-one, 3,4-dimethoxy-6-methyl-
CAS No:75743-71-4
MF:C8H10O4
MW:170.162602901459
CID:539044
PubChem ID:71403717
Update Time:2025-04-19

2H-Pyran-2-one, 3,4-dimethoxy-6-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-2-one, 3,4-dimethoxy-6-methyl-
    • 3,4-dimethoxy-6-methylpyran-2-one
    • 3,4-Dimethoxy-6-methyl-2H-pyran-2-one
    • DTXSID20824609
    • 75743-71-4
    • Inchi: 1S/C8H10O4/c1-5-4-6(10-2)7(11-3)8(9)12-5/h4H,1-3H3
    • InChI Key: PNWHDISMNQDQFS-UHFFFAOYSA-N
    • SMILES: O1C(C(=C(C=C1C)OC)OC)=O

Computed Properties

  • Exact Mass: 170.0579
  • Monoisotopic Mass: 170.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 262
  • 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
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76
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