Cas no 637776-81-9 (1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-)

1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]- structure
637776-81-9 structure
Product Name:1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-
CAS No:637776-81-9
MF:C14H12O5
MW:260.242084503174
CID:425747
PubChem ID:71380894
Update Time:2025-04-19

1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-
    • 5-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
    • 637776-81-9
    • DTXSID50803381
    • 3,4,5,3',4'-pentahydroxystilbene
    • Inchi: 1S/C14H12O5/c15-10-4-3-8(5-11(10)16)1-2-9-6-12(17)14(19)13(18)7-9/h1-7,15-19H
    • InChI Key: NHDCJIRSEKZXEL-UHFFFAOYSA-N
    • SMILES: OC1C(=C(C=C(C=1)C=CC1C=CC(=C(C=1)O)O)O)O

Computed Properties

  • Exact Mass: 260.06846
  • Monoisotopic Mass: 260.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.4
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 101.15
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