Cas no 61200-10-0 (Isobenzofuran, 1-methyl-)

Isobenzofuran, 1-methyl- structure
Isobenzofuran, 1-methyl- structure
Product Name:Isobenzofuran, 1-methyl-
CAS No:61200-10-0
MF:C9H8O
MW:132.159222602844
CID:488728
PubChem ID:12871038
Update Time:2025-04-19

Isobenzofuran, 1-methyl- Chemical and Physical Properties

Names and Identifiers

    • Isobenzofuran, 1-methyl-
    • 1-methyl-2-benzofuran
    • SCHEMBL1097671
    • AKOS006372744
    • 1-Methylisobenzofuran
    • 61200-10-0
    • DTXSID30512020
    • Inchi: 1S/C9H8O/c1-7-9-5-3-2-4-8(9)6-10-7/h2-6H,1H3
    • InChI Key: CQBUPUAMISMLTC-UHFFFAOYSA-N
    • SMILES: O1C=C2C=CC=CC2=C1C

Computed Properties

  • Exact Mass: 132.05754
  • Monoisotopic Mass: 132.057514874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 122
  • 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: 2.6
  • Topological Polar Surface Area: 13.1?2

Experimental Properties

  • PSA: 13.14
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