Cas no 19506-20-8 (6,7-Quinoxalinediol)

6,7-Quinoxalinediol structure
6,7-Quinoxalinediol structure
Product Name:6,7-Quinoxalinediol
CAS No:19506-20-8
MF:C8H6N2O2
MW:162.145441532135
CID:123619
PubChem ID:135421790
Update Time:2025-04-18

6,7-Quinoxalinediol Chemical and Physical Properties

Names and Identifiers

    • 6,7-Quinoxalinediol
    • 1,4-dihydroquinoxaline-6,7-dione
    • 19506-20-8
    • quinoxaline-6,7-diol
    • DTXSID90328225
    • SCHEMBL9879445
    • AKOS015904666
    • Inchi: 1S/C8H6N2O2/c11-7-3-5-6(4-8(7)12)10-2-1-9-5/h1-4,11-12H
    • InChI Key: AYDVUWHDCUBKNN-UHFFFAOYSA-N
    • SMILES: OC1C(=CC2C(C=1)=NC=CN=2)O

Computed Properties

  • Exact Mass: 162.04298
  • Monoisotopic Mass: 162.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 147
  • 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: 0.5
  • Topological Polar Surface Area: 66.2?2

Experimental Properties

  • PSA: 66.24
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