Cas no 36358-21-1 (2-[(1R,5S)-3-Bicyclo[3.3.1]nonanyl]acetic acid)

2-[(1R,5S)-3-Bicyclo[3.3.1]nonanyl]acetic acid structure
36358-21-1 structure
Product Name:2-[(1R,5S)-3-Bicyclo[3.3.1]nonanyl]acetic acid
CAS No:36358-21-1
MF:C11H18O2
MW:182.259423732758
CID:2665983
Update Time:2023-08-06

2-[(1R,5S)-3-Bicyclo[3.3.1]nonanyl]acetic acid Chemical and Physical Properties

Names and Identifiers

    • (1β,3α,5β)-Bicyclo[3.3.1]nonane-3-acetic acid
    • (1beta,3alpha,5beta)-Bicyclo[3.3.1]nonane-3-acetic acid
    • 2-[(1R,5S)-3-Bicyclo[3.3.1]nonanyl]acetic acid
    • Inchi: 1S/C11H18O2/c12-11(13)7-10-5-8-2-1-3-9(4-8)6-10/h8-10H,1-7H2,(H,12,13)/t8-,9+,10?
    • InChI Key: OEFYDNNJSYHKPX-ULKQDVFKSA-N
    • SMILES: OC(CC1C[C@H]2CCC[C@@H](C1)C2)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 188
  • Topological Polar Surface Area: 37.3
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