Cas no 62790-26-5 (Benzoate-d)

Benzoate-d structure
Benzoate-d structure
Product Name:Benzoate-d
CAS No:62790-26-5
MF:C7H5NaO2
MW:149.133981466293
CID:502656
PubChem ID:23671533
Update Time:2025-04-19

Benzoate-d Chemical and Physical Properties

Names and Identifiers

    • Benzoic-d5 acid, sodiumsalt (9CI)
    • sodium,2,3,4,5,6-pentadeuteriobenzoate
    • Benzoic acid-2,3,4,5,6-d5 sodium salt
    • Sodium benzoate-d5
    • Benzoate-d
    • DTXSID30635460
    • D99672
    • MFCD01075425
    • Benzoic-d5 acid,sodiumsalt(9ci)
    • 62790-26-5
    • HY-Y1316S
    • CS-0567670
    • Sodium benzoate-d5, 98 atom % D
    • Benzoate-d5 (sodium)
    • SCHEMBL1332445
    • sodium;2,3,4,5,6-pentadeuteriobenzoate
    • Sodium (~2~H_5_)benzoate
    • DB-321466
    • Inchi: 1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1/i1D,2D,3D,4D,5D;
    • InChI Key: WXMKPNITSTVMEF-GWVWGMRQSA-M
    • SMILES: [Na+].[O-]C(C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H])=O

Computed Properties

  • Exact Mass: 149.05000
  • Monoisotopic Mass: 149.05010741g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 108
  • 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: 40.1?2

Experimental Properties

  • Melting Point: >300?°C(lit.)
  • Flash Point: 121?°C
  • PSA: 40.13000
  • LogP: 0.05010

Benzoate-d Security Information

Benzoate-d Pricemore >>

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