Cas no 3164-31-6 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, copper(2+) salt (2:3))

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, copper(2+) salt (2:3) structure
3164-31-6 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, copper(2+) salt (2:3)
CAS No:3164-31-6
MF:C6H8CuO7
MW:255.66952419281
CID:315548
Update Time:2026-05-14

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, copper(2+) salt (2:3) Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, copper(2+) salt (2:3)
    • tricopper 2-oxidopropane-1,2,3-tricarboxylate
    • Tricopper(2+) bis(2-hydroxypropane-1,2,3-tricarboxylate)
    • Inchi： InChI=1S/2C6H8O7.3Cu/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
    • InChI Key： STDMRMREKPZQFJ-UHFFFAOYSA-H
    • SMILES： [Cu+2].[Cu+2].[Cu+2].O=C(CC(C([O-])=O)(O)CC([O-])=O)[O-].O=C(CC(C([O-])=O)(O)CC([O-])=O)[O-]

Computed Properties

  • Exact Mass: 566.7957
  • Monoisotopic Mass: 566.795858
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 211
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 281

Experimental Properties

  • Boiling Point: 309.6°Cat760mmHg
  • Flash Point: 155.2°C
  • PSA: 281.24

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