Cas no 68310-12-3 (nonatriacontafluoroicosanoic acid)

nonatriacontafluoroicosanoic acid structure
68310-12-3 structure
Product Name:nonatriacontafluoroicosanoic acid
CAS No:68310-12-3
MF:C20HF39O2
MW:1014.15848326683
CID:970001
PubChem ID:3017844
Update Time:2025-04-19

nonatriacontafluoroicosanoic acid Chemical and Physical Properties

Names and Identifiers

    • nonatriacontafluoroicosanoic acid
    • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-nonatriacontafluoroicosanoic acid
    • Eicosanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-nonatriacontafluoro-
    • Eicosanoic acid, nonatriacontafluoro-
    • Perfluoroeicosanoic acid
    • SCHEMBL3368187
    • DTXSID90887327
    • EINECS 269-701-9
    • C20 PFCA
    • VLLYHFSAJNIONB-UHFFFAOYSA-N
    • NS00011278
    • 68310-12-3
    • Inchi: 1S/C20HF39O2/c21-2(22,1(60)61)3(23,24)4(25,26)5(27,28)6(29,30)7(31,32)8(33,34)9(35,36)10(37,38)11(39,40)12(41,42)13(43,44)14(45,46)15(47,48)16(49,50)17(51,52)18(53,54)19(55,56)20(57,58)59/h(H,60,61)
    • InChI Key: VLLYHFSAJNIONB-UHFFFAOYSA-N
    • SMILES: FC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F

Computed Properties

  • Exact Mass: 1013.93523
  • Monoisotopic Mass: 1013.9353776g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 41
  • Heavy Atom Count: 61
  • Rotatable Bond Count: 18
  • Complexity: 1640
  • 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: 13
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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