Cas no 52075-16-8 (Nonanoic acid, 3-methyl-, (R)-)

Nonanoic acid, 3-methyl-, (R)- structure
52075-16-8 structure
Product Name:Nonanoic acid, 3-methyl-, (R)-
CAS No:52075-16-8
MF:C10H20O2
MW:172.264603614807
CID:360713
PubChem ID:12513822
Update Time:2025-04-19

Nonanoic acid, 3-methyl-, (R)- Chemical and Physical Properties

Names and Identifiers

    • Nonanoic acid, 3-methyl-, (R)-
    • (3R)-3-Methylnonanoic acid
    • 52075-16-8
    • DTXSID60500975
    • Inchi: 1S/C10H20O2/c1-3-4-5-6-7-9(2)8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/t9-/m1/s1
    • InChI Key: ZDIXEQISPGRDEB-SECBINFHSA-N
    • SMILES: OC(C[C@H](C)CCCCCC)=O

Computed Properties

  • Exact Mass: 172.1464
  • 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: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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