Cas no 137739-74-3 (9-Methoxycanthin-6-one 3-N-oxide)

9-Methoxycanthin-6-one 3-N-oxide structure
137739-74-3 structure
Product Name:9-Methoxycanthin-6-one 3-N-oxide
CAS No:137739-74-3
MF:C15H10N2O3
MW:266.25150346756
CID:2022380
PubChem ID:44593495
Update Time:2025-04-21

9-Methoxycanthin-6-one 3-N-oxide Chemical and Physical Properties

Names and Identifiers

    • 9-Methoxycanthin-6-one 3-N-oxide
    • 9-methoxycanthin-6-one-3N-oxide
    • Me ether,N3-Oxide-9-Hydroxycanthin-6-one
    • 9-Methoxycanthin-6-one-N-oxide
    • 9-Methoxycanthin-6-one N-oxide
    • 9-Methoxycanthin-6-one-3-oxide
    • 13-methoxy-2-oxo-1,6-diazatetracyclo[7.6.1.0?,(1)?.0(1)?,(1)?]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-6-ium-6-olate
    • 13-methoxy-6-oxido-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-6-ium-2-one
    • 13-methoxy-2-oxo-1,6-diazatetracyclo[7.6.1.0?,??.0??,??]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-6-ium-6-olate
    • CHEMBL462673
    • 9-Methoxy-6-oxo-6H-indolo[3,2,1-de][1,5]naphthyridine 3-oxide
    • 137739-74-3
    • CS-0148742
    • Inchi: 1S/C15H10N2O3/c1-20-9-2-3-10-11-6-7-16(19)12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3
    • InChI Key: IADUHWGVUSHTRQ-UHFFFAOYSA-N
    • SMILES: COC1C=CC2C3C=C[N+]([O-])=C4C=3N(C=2C=1)C(C=C4)=O

Computed Properties

  • Exact Mass: 266.06914219Da
  • Monoisotopic Mass: 266.06914219Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 452
  • 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: -0.0869999999999999
  • Topological Polar Surface Area: 56.7?2

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.46±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.56 g/l) (25 o C),
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