Cas no 25355-32-2 (Pentanedial, 2-ethyl-)

Pentanedial, 2-ethyl- structure
Pentanedial, 2-ethyl- structure
Product Name:Pentanedial, 2-ethyl-
CAS No:25355-32-2
MF:C7H12O2
MW:128.168982505798
CID:1422520
PubChem ID:12575733
Update Time:2025-04-20

Pentanedial, 2-ethyl- Chemical and Physical Properties

Names and Identifiers

    • Pentanedial, 2-ethyl-
    • 2-ethylpentanedial
    • DTXSID50503117
    • SCHEMBL10970063
    • 25355-32-2
    • Inchi： 1S/C7H12O2/c1-2-7(6-9)4-3-5-8/h5-7H,2-4H2,1H3
    • InChI Key： OJEAXIMJLLYVQH-UHFFFAOYSA-N
    • SMILES： O=CC(CC)CCC=O

Computed Properties

  • Exact Mass: 128.08376
  • Monoisotopic Mass: 128.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 88.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

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