Cas no 61203-04-1 (Acetaldehyde, (2-oxocyclohexylidene)-)

Acetaldehyde, (2-oxocyclohexylidene)- structure
61203-04-1 structure
Product Name:Acetaldehyde, (2-oxocyclohexylidene)-
CAS No:61203-04-1
MF:C8H10O2
MW:138.163802623749
CID:488603
PubChem ID:71398314
Update Time:2025-04-19

Acetaldehyde, (2-oxocyclohexylidene)- Chemical and Physical Properties

Names and Identifiers

    • Acetaldehyde, (2-oxocyclohexylidene)-
    • 2-(2-oxocyclohexylidene)acetaldehyde
    • DTXSID50819745
    • 61203-04-1
    • (2-Oxocyclohexylidene)acetaldehyde
    • Inchi: 1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h5-6H,1-4H2
    • InChI Key: FUXBPMKBCJEURD-UHFFFAOYSA-N
    • SMILES: O=C1C(=CC=O)CCCC1

Computed Properties

  • Exact Mass: 138.0681
  • Monoisotopic Mass: 138.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 0.6
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
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