Cas no 85136-49-8 (tris(5-oxo-DL-prolinato-N1,O2)iron)

tris(5-oxo-DL-prolinato-N1,O2)iron structure
85136-49-8 structure
Product Name:tris(5-oxo-DL-prolinato-N1,O2)iron
CAS No:85136-49-8
MF:C15H21FeN3O9
MW:443.186945676804
CID:730719
Update Time:2023-11-18

tris(5-oxo-DL-prolinato-N1,O2)iron Chemical and Physical Properties

Names and Identifiers

    • Iron,tris(5-oxoprolinato-kN1,kO2)- (9CI)
    • Tris(5-oxo-DL-prolinato-N1,O2)iron
    • CID 119057824
    • Einecs 285-772-9
    • tris(5-oxo-DL-prolinato-N1,O2)iron
    • Inchi: 1S/3C5H7NO3.Fe/c3*7-4-2-1-3(6-4)5(8)9;/h3*3H,1-2H2,(H,6,7)(H,8,9);
    • InChI Key: ROKPSFMKONDQAA-UHFFFAOYSA-N
    • SMILES: [Fe].OC(C1CCC(N1)=O)=O.OC(C1CCC(N1)=O)=O.OC(C1CCC(N1)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 555
  • Topological Polar Surface Area: 199
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