Cas no 6268-52-6 (10-phenylundecanoic acid)

10-phenylundecanoic acid structure
10-phenylundecanoic acid structure
Product Name:10-phenylundecanoic acid
CAS No:6268-52-6
MF:C17H26O2
MW:262.387145519257
CID:957226
PubChem ID:235175
Update Time:2025-04-19

10-phenylundecanoic acid Chemical and Physical Properties

Names and Identifiers

    • 10-phenylundecanoic acid
    • 10-phenyl-undecanoic acid
    • 10-Phenylundecansaeure
    • 6268-52-6
    • NSC-36269
    • NSC36269
    • DTXSID80284225
    • Inchi: 1S/C17H26O2/c1-15(16-12-8-6-9-13-16)11-7-4-2-3-5-10-14-17(18)19/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,18,19)
    • InChI Key: BOJGHMZSMNYSRJ-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCCCC(C)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 262.19300
  • Monoisotopic Mass: 262.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 10
  • Complexity: 231
  • 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: 5.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 4.99550
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