Cas no 31352-39-3 (disodium dodecanedioate)

disodium dodecanedioate structure
disodium dodecanedioate structure
Product Name:disodium dodecanedioate
CAS No:31352-39-3
MF:C12H20Na2O4
MW:274.264346122742
CID:916493
PubChem ID:169292
Update Time:2025-04-19

disodium dodecanedioate Chemical and Physical Properties

Names and Identifiers

    • disodium dodecanedioate
    • EINECS 302-389-5
    • 94108-48-2
    • disodium;dodecanedioate
    • EINECS 250-582-7
    • Dodecanedioic acid,sodium salt
    • NS00083965
    • DTXSID40916454
    • Dodecanedioic acid, sodium salt
    • SCHEMBL6053545
    • 31352-39-3
    • sodium dodecanedioate
    • TWEMKOBYVAMCDD-UHFFFAOYSA-L
    • Inchi: 1S/C12H22O4.2Na/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;/h1-10H2,(H,13,14)(H,15,16);;/q;2*+1/p-2
    • InChI Key: TWEMKOBYVAMCDD-UHFFFAOYSA-L
    • SMILES: [Na+].[Na+].[O-]C(CCCCCCCCCCC(=O)[O-])=O

Computed Properties

  • Exact Mass: 274.1158
  • Monoisotopic Mass: 274.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 168
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.3A^2

Experimental Properties

  • Color/Form: Yellow crystals or orange solids
  • Boiling Point: 394°C at 760 mmHg
  • Flash Point: 216.6°C
  • PSA: 80.26
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