Cas no 62593-13-9 (Hexanoic acid, 5-hydroxy-, methyl ester)

Hexanoic acid, 5-hydroxy-, methyl ester structure
62593-13-9 structure
Product Name:Hexanoic acid, 5-hydroxy-, methyl ester
CAS No:62593-13-9
MF:C7H14O3
MW:146.184262752533
CID:438865
PubChem ID:11344092
Update Time:2025-04-19

Hexanoic acid, 5-hydroxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 5-hydroxy-, methyl ester
    • methyl 5-hydroxyhexanoate
    • DTXSID60462903
    • methyl-5-hydroxyhexanoate
    • 62593-13-9
    • A936632
    • SCHEMBL4958389
    • Inchi： 1S/C7H14O3/c1-6(8)4-3-5-7(9)10-2/h6,8H,3-5H2,1-2H3
    • InChI Key： KBKUVMOUCKJDBE-UHFFFAOYSA-N
    • SMILES： OC(C)CCCC(=O)OC

Computed Properties

  • Exact Mass: 146.09432
  • Monoisotopic Mass: 146.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 101
  • 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: 0.5
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

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