Cas no 72060-21-0 (Naphthalenedione,methyl- (9CI))

Naphthalenedione,methyl- (9CI) structure
72060-21-0 structure
Product Name:Naphthalenedione,methyl- (9CI)
CAS No:72060-21-0
MF:C11H8O2
MW:172.180023193359
CID:570478
Update Time:2024-03-05

Naphthalenedione,methyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Naphthalenedione,methyl- (9CI)
    • METHYLNAPHTHOQUINONE
    • Inchi： 1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
    • InChI Key： MJVAVZPDRWSRRC-UHFFFAOYSA-N
    • SMILES： C1(C2=C(C=CC=C2)C(=O)C=C1C)=O

Computed Properties

  • Exact Mass: 172.05243
  • Monoisotopic Mass: 172.05243
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 289
  • 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: 2.2
  • Topological Polar Surface Area: 34.1

Experimental Properties

  • Melting Point: 105-107 deg C

Naphthalenedione,methyl- (9CI) Related Literature

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