Cas no 142629-43-4 (5-Benzoxazolol, 2-(4-hydroxyphenyl)-)

5-Benzoxazolol, 2-(4-hydroxyphenyl)- structure
142629-43-4 structure
Product Name:5-Benzoxazolol, 2-(4-hydroxyphenyl)-
CAS No:142629-43-4
MF:C13H9NO3
MW:227.215463399887
CID:1316643
PubChem ID:135405741
Update Time:2025-04-20

5-Benzoxazolol, 2-(4-hydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 5-Benzoxazolol, 2-(4-hydroxyphenyl)-
    • 4-(5-hydroxy-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,5-dien-1-one
    • 2-(4-Hydroxy-phenyl)-benzooxazol-5-ol
    • 2-(4-Hydroxyphenyl)-1,3-benzoxazol-5-ol
    • 2-(4-hydroxyphenyl)benzo[d]oxazol-5-ol
    • 2-(4-Hydroxyphenyl)-5-benzoxazolol
    • WAY-818
    • SCHEMBL4476460
    • CHEMBL187392
    • 142629-43-4
    • WAY-166818
    • DTXSID00465458
    • DPAMLAKLEWYMGF-UHFFFAOYSA-N
    • UNII-9R07VD5I9B
    • PD179950
    • 9R07VD5I9B
    • BDBM50154057
    • Inchi: 1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-7-10(16)5-6-12(11)17-13/h1-7,15-16H
    • InChI Key: DPAMLAKLEWYMGF-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC(=CC=2)O)=NC2C=C(C=CC1=2)O

Computed Properties

  • Exact Mass: 227.05827
  • Monoisotopic Mass: 227.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 265
  • 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: 2.7
  • Topological Polar Surface Area: 66.5?2

Experimental Properties

  • PSA: 66.49
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