Cas no 29222-39-7 ([1,1'-Biphenyl]triol)

[1,1'-Biphenyl]triol structure
[1,1'-Biphenyl]triol structure
Product Name:[1,1'-Biphenyl]triol
CAS No:29222-39-7
MF:C12H10O3
MW:202.206003665924
CID:267921
PubChem ID:121794
Update Time:2025-04-19

[1,1'-Biphenyl]triol Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]triol
    • (1,1'-Biphenyl)triol
    • 1,2,4-Benzenetriol, phenyl-
    • AI3-19840
    • biphenyl-2,2',3-triol
    • biphenyl-3,4,5-triol
    • Biphenyltriol
    • Phenyl-1,2,4-benzenetriol
    • NS00122388
    • 3,4,5-trihydroxybiphenyl
    • EINECS 249-523-8
    • SCHEMBL3655189
    • 29222-39-7
    • Inchi: 1S/C12H10O3/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,13-15H
    • InChI Key: IVQGJZCJWJVSJX-UHFFFAOYSA-N
    • SMILES: OC1C(=C(C=C(C=1)C1C=CC=CC=1)O)O

Computed Properties

  • Exact Mass: 202.06300
  • Monoisotopic Mass: 202.062994
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 189
  • 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: 60.7
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.1868 (rough estimate)
  • Boiling Point: 300.32°C (rough estimate)
  • Flash Point: 221.5°C
  • Refractive Index: 1.5430 (estimate)
  • PSA: 60.69000
  • LogP: 2.47040
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