Cas no 126-44-3 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, ion(3-))

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, ion(3-) structure
126-44-3 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, ion(3-)
CAS No:126-44-3
MF:C10H17N3O9
MW:323.256683111191
CID:203154
Update Time:2025-04-19

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, ion(3-) Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, ion(3-)
    • ANION STANDARD - CITRATE
    • CREATINE CITRATE
    • NULL
    • Citrate
    • Citrate ion
    • Citrate ion(3-)
    • Citrate trianion
    • Citrate(3-)
    • Citricacid, ion(3-) (8CI)
    • Inchi： 1S/C6H8O7.C4H9N3O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-7(4(5)6)2-3(8)9/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H2,1H3,(H3,5,6)(H,8,9)
    • InChI Key： MBBREGJRSROLGD-UHFFFAOYSA-N
    • SMILES： C(C(=O)O)(CC(O)=O)(CC(=O)O)O.C(N)(=N)N(C)CC(O)=O

Computed Properties

  • Exact Mass: 189.004
  • Monoisotopic Mass: 189.004
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 211
  • 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
  • Surface Charge: -3
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 141A^2

Experimental Properties

  • Boiling Point: 309.6°Cat760mmHg
  • Flash Point: 155.2°C
  • PSA: 222.54000
  • LogP: -1.55220

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