Cas no 89924-79-8 (1,3-Propanediol, mono(hydrogen phosphonate) (9CI))

1,3-Propanediol, mono(hydrogen phosphonate) (9CI) structure
89924-79-8 structure
Product Name:1,3-Propanediol, mono(hydrogen phosphonate) (9CI)
CAS No:89924-79-8
MF:C3H9O4P
MW:140.074922323227
CID:585231
Update Time:2023-03-29

1,3-Propanediol, mono(hydrogen phosphonate) (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol, mono(hydrogen phosphonate)
    • 1,3-Propanediol, mono(hydrogen phosphonate) (9CI)
    • Inchi: 1S/C3H9O4P/c4-2-1-3-7-8(5)6/h4,8H,1-3H2,(H,5,6)
    • InChI Key: AKCUYHXGYNKHAQ-UHFFFAOYSA-N
    • SMILES: C(OP(=O)O)CCO

Computed Properties

  • Exact Mass: 138.008
  • Monoisotopic Mass: 138.008
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 94.3
  • 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
  • Topological Polar Surface Area: 63.6A^2
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