Cas no 116530-39-3 (5-METHYLNONANOIC ACID)

5-METHYLNONANOIC ACID structure
5-METHYLNONANOIC ACID structure
Product Name:5-METHYLNONANOIC ACID
CAS No:116530-39-3
MF:C10H20O2
MW:172.26
CID:5520425
PubChem ID:14491965
Update Time:2024-11-06

5-METHYLNONANOIC ACID Chemical and Physical Properties

Names and Identifiers

    • 5-METHYLNONANOIC ACID
    • AKOS006276024
    • SCHEMBL4166322
    • G70717
    • 116530-39-3
    • Inchi: 1S/C10H20O2/c1-3-4-6-9(2)7-5-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
    • InChI Key: HEJCHODYKPKXSF-UHFFFAOYSA-N
    • SMILES: C(C)(CCCC)CCCC(=O)O

Computed Properties

  • Exact Mass: 172.146329876g/mol
  • Monoisotopic Mass: 172.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 121
  • 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: 3.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.9047 (rough estimate)
  • Boiling Point: 262.98°C (estimate)
  • Refractive Index: 1.4190 (estimate)

5-METHYLNONANOIC ACID Pricemore >>

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