Cas no 67533-07-7 ()

67533-07-7 structure
structure
Product Name:
CAS No:67533-07-7
MF:C3H2O6P
MW:165.018142223358
CID:6645680
PubChem ID:3674425
Update Time:2024-03-01

Chemical and Physical Properties

Names and Identifiers

    • Inchi: 1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)/p-3
    • InChI Key: DTBNBXWJWCWCIK-UHFFFAOYSA-K
    • SMILES: P(=O)([O-])([O-])OC(=C)C(=O)[O-]

Computed Properties

  • Exact Mass: 164.95889978g/mol
  • Monoisotopic Mass: 164.95889978g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 184
  • 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
  • XLogP3: -0.6
  • Topological Polar Surface Area: 113?2

Experimental Properties

  • PSA: 122.36000
  • LogP: -0.76430
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