Cas no 16063-85-7 ([1,1'-Biphenyl]-4-ol,4-(hydrogen sulfate))

[1,1'-Biphenyl]-4-ol,4-(hydrogen sulfate) structure
16063-85-7 structure
Product Name:[1,1'-Biphenyl]-4-ol,4-(hydrogen sulfate)
CAS No:16063-85-7
MF:C12H10O4S
MW:250.270402431488
CID:235493
PubChem ID:177718
Update Time:2025-04-19

[1,1'-Biphenyl]-4-ol,4-(hydrogen sulfate) Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-ol,4-(hydrogen sulfate)
    • (4-phenylphenyl) hydrogen sulfate
    • 16063-85-7
    • SCHEMBL8746892
    • DTXSID00166953
    • (1,1'-Biphenyl)-4-ol, 4-(hydrogen sulfate)
    • Inchi: 1S/C12H10O4S/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15)
    • InChI Key: JATOIOIIXORRLF-UHFFFAOYSA-N
    • SMILES: S(=O)(=O)(O)OC1C=CC(=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 250.03
  • Monoisotopic Mass: 250.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 319
  • 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: 72A^2
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.384
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.62
  • PSA: 63.6
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