Cas no 111013-07-1 (Naphtho[1,2-c]furan-1,3-dione,9-methyl-)

Naphtho[1,2-c]furan-1,3-dione,9-methyl- structure
111013-07-1 structure
Product Name:Naphtho[1,2-c]furan-1,3-dione,9-methyl-
CAS No:111013-07-1
MF:C13H8O3
MW:212.200823783875
CID:129062
PubChem ID:13813893
Update Time:2025-04-18

Naphtho[1,2-c]furan-1,3-dione,9-methyl- Chemical and Physical Properties

Names and Identifiers

    • Naphtho[1,2-c]furan-1,3-dione,9-methyl-
    • Naphtho[1,2-c]furan-1,3-dione, 9-methyl- (9CI)
    • 111013-07-1
    • Naphtho[1,2-c]furan-1,3-dione,9-methyl-(9ci)
    • 9-Methylnaphtho[1,2-c]furan-1,3-dione
    • 9-methylbenzo[e][2]benzofuran-1,3-dione
    • Inchi: 1S/C13H8O3/c1-7-3-2-4-8-5-6-9-11(10(7)8)13(15)16-12(9)14/h2-6H,1H3
    • InChI Key: NESUCGJMEKIZFB-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC=C3C=CC=C(C)C3=C2C1=O)=O

Computed Properties

  • Exact Mass: 212.04734
  • Monoisotopic Mass: 212.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 336
  • 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: 2.9
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
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