Cas no 96802-39-0 ([1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI))

[1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI) structure
96802-39-0 structure
Product Name:[1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI)
CAS No:96802-39-0
MF:C13H9NO2
MW:211.216063261032
CID:1002047
PubChem ID:45116845
Update Time:2025-04-20

[1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI) Chemical and Physical Properties

Names and Identifiers

    • [1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI)
    • 2,4-dihydroxy-5-phenylbenzonitrile
    • 96802-39-0
    • [1,1-biphenyl]-3-carbonitrile,4,6-dihydroxy-
    • [1,1-BIPHENYL]-3-CARBONITRILE, 4,6-DIHYDROXY-
    • DB-322206
    • Inchi: 1S/C13H9NO2/c14-8-10-6-11(13(16)7-12(10)15)9-4-2-1-3-5-9/h1-7,15-16H
    • InChI Key: WPTWITLAXPCMCO-UHFFFAOYSA-N
    • SMILES: OC1C=C(C(C#N)=CC=1C1C=CC=CC=1)O

Computed Properties

  • Exact Mass: 211.063328530g/mol
  • Monoisotopic Mass: 211.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 277
  • 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: 3.1
  • Topological Polar Surface Area: 64.2?2

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