Cas no 17078-91-0 (2,4,6-Nonanetrione)

2,4,6-Nonanetrione structure
2,4,6-Nonanetrione structure
Product Name:2,4,6-Nonanetrione
CAS No:17078-91-0
MF:C9H14O3
MW:170.205663204193
CID:1353173
PubChem ID:60102359
Update Time:2025-04-20

2,4,6-Nonanetrione Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Nonanetrione
    • nonane-2,4,6-trione
    • SCHEMBL10448996
    • 17078-91-0
    • DTXSID30733617
    • Inchi: 1S/C9H14O3/c1-3-4-8(11)6-9(12)5-7(2)10/h3-6H2,1-2H3
    • InChI Key: LWRURMOIVJTPQW-UHFFFAOYSA-N
    • SMILES: O=C(CC(CC(C)=O)=O)CCC

Computed Properties

  • Exact Mass: 170.094294304g/mol
  • Monoisotopic Mass: 170.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 194
  • 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: 0.5
  • Topological Polar Surface Area: 51.2?2
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