Cas no 71490-72-7 (2,3-dihydro-5-methyl-1,4-Phthalazinedione)

2,3-dihydro-5-methyl-1,4-Phthalazinedione structure
71490-72-7 structure
Product Name:2,3-dihydro-5-methyl-1,4-Phthalazinedione
CAS No:71490-72-7
MF:C9H8N2O2
MW:176.172021865845
CID:1116478
PubChem ID:20334666
Update Time:2025-04-20

2,3-dihydro-5-methyl-1,4-Phthalazinedione Chemical and Physical Properties

Names and Identifiers

    • 2,3-dihydro-5-methyl-1,4-Phthalazinedione
    • SCHEMBL4572048
    • 5-methyl-2,3-dihydrophthalazine-1,4-dione
    • SCHEMBL26113008
    • 5-methylphthalazine-1,4-diol
    • SY312452
    • 71490-72-7
    • MFCD16037286
    • 958745-42-1
    • Inchi: 1S/C9H8N2O2/c1-5-3-2-4-6-7(5)9(13)11-10-8(6)12/h2-4H,1H3,(H,10,12)(H,11,13)
    • InChI Key: CHGUZNPEZHKETC-UHFFFAOYSA-N
    • SMILES: O=C1C2C(C)=CC=CC=2C(NN1)=O

Computed Properties

  • Exact Mass: 176.05864
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 252
  • 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: 0.8
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • PSA: 58.2
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