Cas no 89355-17-9 (Nonadecanoic acid, 4-methyl-)

Nonadecanoic acid, 4-methyl- structure
Nonadecanoic acid, 4-methyl- structure
Product Name:Nonadecanoic acid, 4-methyl-
CAS No:89355-17-9
MF:C20H40O2
MW:312.530406951904
CID:603413
PubChem ID:57138170
Update Time:2025-04-19

Nonadecanoic acid, 4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Nonadecanoic acid, 4-methyl-
    • 4-methylnonadecanoic acid
    • DTXSID20720379
    • 89355-17-9
    • SCHEMBL13746761
    • Inchi: 1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)17-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
    • InChI Key: YOTKNWSLAAWWMP-UHFFFAOYSA-N
    • SMILES: OC(CCC(C)CCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 312.302830514g/mol
  • Monoisotopic Mass: 312.302830514g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 17
  • Complexity: 238
  • 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: 9
  • Topological Polar Surface Area: 37.3?2
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