Cas no 4122-13-8 (Acetaldehyde-1-d1)

Acetaldehyde-1-d1 structure
Acetaldehyde-1-d1 structure
Product Name:Acetaldehyde-1-d1
CAS No:4122-13-8
MF:C2H4O
MW:45.0587224960327
CID:1065885
PubChem ID:123208
Update Time:2025-04-20

Acetaldehyde-1-d1 Chemical and Physical Properties

Names and Identifiers

    • Acetaldehyde-1-d1
    • (1-2H1)Acetaldehyde
    • AC1L3W3F
    • Acet(aldehyde-d)
    • Acetaldehyde-1-d
    • acetaldehyde-d
    • acetaldehyde-d1
    • CH3CDO
    • deuteriated acetaldehyde
    • EINECS 223-921-1
    • DB-318520
    • 1-deuterioethanone
    • IKHGUXGNUITLKF-VMNATFBRSA-N
    • 4122-13-8
    • DTXSID30194148
    • Inchi: 1S/C2H4O/c1-2-3/h2H,1H3/i2D
    • InChI Key: IKHGUXGNUITLKF-VMNATFBRSA-N
    • SMILES: O=C([2H])C

Computed Properties

  • Exact Mass: 45.032491493g/mol
  • Monoisotopic Mass: 45.032491493g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 3
  • Rotatable Bond Count: 0
  • Complexity: 10.3
  • 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: -0.3
  • Topological Polar Surface Area: 17.1?2

Acetaldehyde-1-d1 Security Information

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