Cas no 59252-36-7 (Heptadecanoic acid, anhydride)

Heptadecanoic acid, anhydride structure
Heptadecanoic acid, anhydride structure
Product Name:Heptadecanoic acid, anhydride
CAS No:59252-36-7
MF:C34H66O3
MW:522.886051654816
CID:339386
PubChem ID:4617097
Update Time:2025-04-19

Heptadecanoic acid, anhydride Chemical and Physical Properties

Names and Identifiers

    • Heptadecanoic acid, anhydride
    • HEPTADECANOIC ANHYDRIDE
    • heptadecanoyl heptadecanoate
    • Heptadecansaeure-anhydrid
    • SCHEMBL2762456
    • AKOS015950713
    • 2,4,5-TRINITROBENZYLALCOHOL
    • FT-0640593
    • DTXSID20404940
    • margaric anhydride
    • KPELOSDOWOWZSG-UHFFFAOYSA-N
    • 59252-36-7
    • Inchi: 1S/C34H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)37-34(36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
    • InChI Key: KPELOSDOWOWZSG-UHFFFAOYSA-N
    • SMILES: O(C(CCCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 522.50100
  • Monoisotopic Mass: 522.50119596g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 32
  • Complexity: 432
  • 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: 15.6
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37000
  • LogP: 11.79900

Heptadecanoic acid, anhydride Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
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