Cas no 284664-83-1 (CREATINE-D3 HYDRATE)

CREATINE-D3 HYDRATE structure
CREATINE-D3 HYDRATE structure
Product Name:CREATINE-D3 HYDRATE
CAS No:284664-83-1
MF:C4H11N3O3
MW:152.166925668716
CID:915103
Update Time:2023-03-27

CREATINE-D3 HYDRATE Chemical and Physical Properties

Names and Identifiers

    • CREATINE-D3 HYDRATE
    • Inchi: 1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2/i1D3;
    • InChI Key: MEJYXFHCRXAUIL-NIIDSAIPSA-N
    • SMILES: N(C(=N)N)(C([2H])([2H])[2H])CC(=O)O.O

Computed Properties

  • Exact Mass: 348.979
  • Monoisotopic Mass: 348.979
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 513
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

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