Cas no 6343-64-2 ( )

  structure
  structure
Product Name: 
CAS No:6343-64-2
MF:C13H24O3
MW:228.327864646912
CID:960183
PubChem ID:226133
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2-cyclohexyl-3-hydroxy-4-methylhexanoic acid
    • AC1L5EJI
    • AC1Q5RP9
    • AG-J-44086
    • AR-1E0950
    • CTK5B9194
    • NSC16279
    • NSC-16279
    • DTXSID70280296
    • 6343-64-2
    •  
    • Inchi： 1S/C13H24O3/c1-3-9(2)12(14)11(13(15)16)10-7-5-4-6-8-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
    • InChI Key： RAYWBDQWWXCHQV-UHFFFAOYSA-N
    • SMILES： OC(C(C)CC)C(C(=O)O)C1CCCCC1

Computed Properties

  • Exact Mass: 228.17262
  • Monoisotopic Mass: 228.17254462g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
  • LogP: 2.67450

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