Cas no 63296-90-2 ((Bicyclo[3.3.1]nonan-1-yl)acetic acid)

(Bicyclo[3.3.1]nonan-1-yl)acetic acid structure
63296-90-2 structure
Product Name:(Bicyclo[3.3.1]nonan-1-yl)acetic acid
CAS No:63296-90-2
MF:C11H18O2
MW:182.259423732758
CID:2790295
PubChem ID:71372989
Update Time:2025-04-21

(Bicyclo[3.3.1]nonan-1-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • DTXSID30795831
    • (Bicyclo[3.3.1]nonan-1-yl)acetic acid
    • 63296-90-2
    • Inchi: 1S/C11H18O2/c12-10(13)8-11-5-1-3-9(7-11)4-2-6-11/h9H,1-8H2,(H,12,13)
    • InChI Key: GQJZEGCWVLTTPF-UHFFFAOYSA-N
    • SMILES: OC(CC12CCCC(CCC1)C2)=O

Computed Properties

  • Exact Mass: 182.130679813Da
  • Monoisotopic Mass: 182.130679813Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 200
  • 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: 3.4
  • Topological Polar Surface Area: 37.3?2
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