Cas no 134886-82-1 (Hexanedioic acid,sodium salt, hydrate (3:2:2))

Hexanedioic acid,sodium salt, hydrate (3:2:2) structure
134886-82-1 structure
Product Name:Hexanedioic acid,sodium salt, hydrate (3:2:2)
CAS No:134886-82-1
MF:C18H28Na2O14
MW:514.386069297791
CID:231826
PubChem ID:3083218
Update Time:2025-04-19

Hexanedioic acid,sodium salt, hydrate (3:2:2) Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid,sodium salt, hydrate (3:2:2)
    • adipate-adipic acid
    • hexanedioic acid
    • hexanedioate, disodium salt, dihydrate
    • Hexanedioic acid, sodium salt (3:2), dihydrate
    • Sodium hydrogen adipate-adipic acid
    • 134886-82-1
    • disodium;hexanedioate;dihydrate
    • Inchi: 1S/3C6H10O4.2Na.2H2O/c3*7-5(8)3-1-2-4-6(9)10;;;;/h3*1-4H2,(H,7,8)(H,9,10);;;2*1H2/q;;;2*+1;;/p-6
    • InChI Key: JLNFSSWNUUGYSP-UHFFFAOYSA-H
    • SMILES: [Na+].[Na+].[O-]C(CCCCC(=O)[O-])=O.[O-]C(CCCCC(=O)[O-])=O.[O-]C(CCCCC(=O)[O-])=O.O.O

Computed Properties

  • Exact Mass: 514.12744413g/mol
  • Monoisotopic Mass: 514.12744413g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 9
  • Complexity: 103
  • Covalently-Bonded Unit Count: 7
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 243?2
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