Cas no 3609-96-9 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, potassium salt (1:2))

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, potassium salt (1:2) structure
3609-96-9 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, potassium salt (1:2)
CAS No:3609-96-9
MF:C6H6K2O7
MW:268.30424451828
CID:305153
PubChem ID:145702
Update Time:2025-04-19

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

Names and Identifiers

    • 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, potassium salt (1:2)
    • dipotassium,2-(carboxymethyl)-2-hydroxybutanedioate
    • 1,2,3-Propanetricarboxylic acid,2-hydroxy-,dipotassium salt
    • Dipotassium hydrogen citrate
    • EINECS 222-775-6
    • 3609-96-9
    • UNII-4UQD42S065
    • dipotassium;2-(carboxymethyl)-2-hydroxybutanedioate
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt (1:2)
    • SCHEMBL104390
    • potassium hydrogen citrate
    • 4UQD42S065
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, dipotassium salt
    • Inchi: 1S/C6H8O7.2K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2
    • InChI Key: UZLGHNUASUZUOR-UHFFFAOYSA-L
    • SMILES: [K+].[K+].OC(C(=O)[O-])(CC(=O)[O-])CC(=O)O

Computed Properties

  • Exact Mass: 267.93900
  • Monoisotopic Mass: 267.939
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 234
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • Boiling Point: 309.6°Cat760mmHg
  • Flash Point: 155.2°C
  • PSA: 137.79000
  • LogP: -3.91790

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