Cas no 3008-39-7 (1,2-Cycloheptanedione)

1,2-Cycloheptanedione structure
1,2-Cycloheptanedione structure
Product Name:1,2-Cycloheptanedione
CAS No:3008-39-7
MF:C7H10O2
MW:126.153102397919
MDL:MFCD00046507
CID:319582
PubChem ID:76365
Update Time:2025-04-19

1,2-Cycloheptanedione Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cycloheptanedione
    • cycloheptane-1,2-dione
    • SY274002
    • AKOS006272623
    • DTXSID9062778
    • SLOCIJOTBVAMAJ-UHFFFAOYSA-N
    • CS-0242867
    • NS00028841
    • cycloheptadione
    • SCHEMBL1552637
    • E85735
    • 3008-39-7
    • EINECS 221-121-7
    • EN300-256325
    • MFCD00046507
    • DTXCID9038131
    • MDL: MFCD00046507
    • Inchi: 1S/C7H10O2/c8-6-4-2-1-3-5-7(6)9/h1-5H2
    • InChI Key: SLOCIJOTBVAMAJ-UHFFFAOYSA-N
    • SMILES: O=C1C(CCCCC1)=O

Computed Properties

  • Exact Mass: 126.0681
  • Monoisotopic Mass: 126.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • 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
  • Topological Polar Surface Area: 34.1A^2
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.0583
  • Melting Point: -40°C
  • Boiling Point: 194.28°C (rough estimate)
  • Flash Point: 77°C
  • Refractive Index: 1.4689 (estimate)
  • PSA: 34.14

1,2-Cycloheptanedione Pricemore >>

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