Cas no 3242-53-3 (Undecanedioic acid,6-oxo-)

Undecanedioic acid,6-oxo- structure
Undecanedioic acid,6-oxo- structure
Product Name:Undecanedioic acid,6-oxo-
CAS No:3242-53-3
MF:C11H18O5
MW:230.257624149323
CID:295155
PubChem ID:10633211
Update Time:2025-04-19

Undecanedioic acid,6-oxo- Chemical and Physical Properties

Names and Identifiers

    • Undecanedioic acid,6-oxo-
    • 6-Oxoundecanedioicacid
    • 6-oxoundecanedioic acid
    • 6-Oxo-undecanedioic acid
    • DTXSID10442795
    • 3242-53-3
    • 6-Ketohendecanedioic acid
    • SCHEMBL7834412
    • 6-keto-hendecanedioic acid
    • Inchi: 1S/C11H18O5/c12-9(5-1-3-7-10(13)14)6-2-4-8-11(15)16/h1-8H2,(H,13,14)(H,15,16)
    • InChI Key: YZHMDWJIJMFCHQ-UHFFFAOYSA-N
    • SMILES: O=C(CCCCC(=O)O)CCCCC(=O)O

Computed Properties

  • Exact Mass: 230.11544
  • Monoisotopic Mass: 230.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 10
  • Complexity: 223
  • 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: 0.4
  • Topological Polar Surface Area: 91.7?2

Experimental Properties

  • PSA: 91.67
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