Cas no 479-14-1 (7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid)

7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid structure
479-14-1 structure
Product Name:7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid
CAS No:479-14-1
MF:C11H10O5
MW:222.194103717804
CID:1518517
PubChem ID:3083579
Update Time:2025-04-21

7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid
    • 7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid
    • Convolvulanic acid B
    • DTXSID90197317
    • 7-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-carboxylic acid
    • 4-Isobenzofurancarboxylic acid, 1,3-dihydro-7-methoxy-6-methoxy-1-oxo-
    • CHEBI:216688
    • SCHEMBL9727071
    • 479-14-1
    • 1,3-Dihydro-7-methoxy-6-methoxy-1-oxo-4-isobenzofurancarboxylic acid
    • Inchi： 1S/C11H10O5/c1-5-3-6(10(12)13)7-4-16-11(14)8(7)9(5)15-2/h3H,4H2,1-2H3,(H,12,13)
    • InChI Key： LEHYHKDJJLQWJA-UHFFFAOYSA-N
    • SMILES： O1C(C2C(=C(C)C=C(C(=O)O)C=2C1)OC)=O

Computed Properties

  • Exact Mass: 222.0528
  • Monoisotopic Mass: 222.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 314
  • 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: 1.2
  • Topological Polar Surface Area: 72.8?2

Experimental Properties

  • PSA: 72.83

7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid Related Literature

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