Cas no 111680-88-7 (Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid)

Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid structure
111680-88-7 structure
Product Name:Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid
CAS No:111680-88-7
MF:C14H24Cl2O3
MW:311.244563102722
CID:2882955
PubChem ID:85535372
Update Time:2025-04-21

Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid
    • DTXSID301173132
    • 111680-88-7
    • Inchi: 1S/C14H24Cl2O3/c1-3-5-11(15)7-9-13(17)19-14(18)10-8-12(16)6-4-2/h11-12H,3-10H2,1-2H3
    • InChI Key: BICOYAVVIGGNQG-UHFFFAOYSA-N
    • SMILES: ClC(CCC)CCC(=O)OC(CCC(CCC)Cl)=O

Computed Properties

  • Exact Mass: 310.1102500Da
  • Monoisotopic Mass: 310.1102500Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 12
  • Complexity: 243
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 43.4?2
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