Cas no 66905-25-7 (calcium hydrogen triacetate)

calcium hydrogen triacetate structure
calcium hydrogen triacetate structure
Product Name:calcium hydrogen triacetate
CAS No:66905-25-7
MF:C6H10CaO6
MW:218.218001842499
CID:964887
PubChem ID:57352442
Update Time:2025-04-19

calcium hydrogen triacetate Chemical and Physical Properties

Names and Identifiers

    • calcium hydrogen triacetate
    • calcium,acetic acid,diacetate
    • acetate, calcium salt
    • DTXSID30985573
    • Calciumato acetatato--acetato (1/2/1)
    • EINECS 266-516-5
    • 66905-25-7
    • DGPUYHMCOANORE-UHFFFAOYSA-L
    • Inchi: 1S/3C2H4O2.Ca/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+2/p-2
    • InChI Key: DGPUYHMCOANORE-UHFFFAOYSA-L
    • SMILES: [Ca+2].OC(C)=O.[O-]C(C)=O.[O-]C(C)=O

Computed Properties

  • Exact Mass: 218.0103
  • Monoisotopic Mass: 194.13068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °Cat760mmHg
  • PSA: 117.56
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