Cas no 68412-21-5 (Neodecanoic acid, rare earth salts)

Neodecanoic acid, rare earth salts structure
68412-21-5 structure
Product Name:Neodecanoic acid, rare earth salts
CAS No:68412-21-5
MF:C10H20O2
MW:172.264603614807
CID:1727394
PubChem ID:62838
Update Time:2025-04-21

Neodecanoic acid, rare earth salts Chemical and Physical Properties

Names and Identifiers

    • Neodecanoic acid, rare earth salts
    • Rare earth neodecanoate
    • 7,7-dimethyloctanoic acid
    • 3HN3T2UTE6
    • 68412-21-5
    • AS-17386
    • CS-W022922
    • SY066765
    • Neo decanoic acid
    • 7,7-Dimethyloctanoicacid
    • AKOS006345516
    • Z1201618722
    • SCHEMBL23925
    • DB-156517
    • NEO-DECANOIC ACID
    • Neodecanoic Acid, mixture of isomers
    • 2,2-DIMETHYLCAPRYLIC ACID
    • 52627-73-3
    • DTXSID00866704
    • EINECS 270-175-8
    • EN300-198006
    • MFCD00068291
    • 130776-67-9
    • neo-decanoic acid, AldrichCPR
    • H10667
    • neo-Decanoic acid, prime grade
    • DECANOIC ACID, TERT-
    • Inchi: 1S/C10H20O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
    • InChI Key: YPIFGDQKSSMYHQ-UHFFFAOYSA-N
    • SMILES: OC(CCCCCC(C)(C)C)=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: 6
  • Complexity: 133
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 37.3?2
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