Cas no 64908-55-0 (1,2,3-Benzotriazin-4(3H)-one, 3-methoxy-)

1,2,3-Benzotriazin-4(3H)-one, 3-methoxy- structure
64908-55-0 structure
Product Name:1,2,3-Benzotriazin-4(3H)-one, 3-methoxy-
CAS No:64908-55-0
MF:C8H7N3O2
MW:177.160081148148
CID:411731
PubChem ID:12351258
Update Time:2025-04-19

1,2,3-Benzotriazin-4(3H)-one, 3-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Benzotriazin-4(3H)-one, 3-methoxy-
    • 3-methoxy-1,2,3-benzotriazin-4-one
    • DTXSID00493332
    • SCHEMBL757021
    • 3-Methoxy-1,2,3-benzotriazin-4(3H)-one
    • 64908-55-0
    • Inchi: 1S/C8H7N3O2/c1-13-11-8(12)6-4-2-3-5-7(6)9-10-11/h2-5H,1H3
    • InChI Key: KVFSUOUXJVGAPE-UHFFFAOYSA-N
    • SMILES: O(C)N1C(C2C=CC=CC=2N=N1)=O

Computed Properties

  • Exact Mass: 177.05391
  • Monoisotopic Mass: 177.053826475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 242
  • 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: 0.9
  • Topological Polar Surface Area: 54.3?2

Experimental Properties

  • PSA: 54.26
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