Cas no 56408-90-3 (Sodium Octanoate-d15)

Sodium Octanoate-d15 structure
Sodium Octanoate-d15 structure
Product Name:Sodium Octanoate-d15
CAS No:56408-90-3
MF:C8H15NaO2
MW:181.285699129105
CID:367118
PubChem ID:101337872
Update Time:2025-04-19

Sodium Octanoate-d15 Chemical and Physical Properties

Names and Identifiers

    • Octanoic-d15 acid,sodium salt (9CI)
    • Sodiumoctanoate-d15
    • HY-W015339S2
    • SODIUM OCTANOATE-D15
    • CS-0437992
    • D99721
    • 56408-90-3
    • Octanoate-d15 (sodium)
    • sodium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoate
    • Sodium Octanoate-d15
    • Inchi: 1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2;
    • InChI Key: BYKRNSHANADUFY-QBMKXHHWSA-M
    • SMILES: [Na+].[O-]C(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 181.19100
  • Monoisotopic Mass: 182.199
  • Isotope Atom Count: 15
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 89.3
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • PSA: 40.13000
  • LogP: 1.09680

Sodium Octanoate-d15 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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