Cas no 876503-22-9 (6,7-dihydro-5H-1,3-Dioxolo[4,5-f]isoindole)

6,7-dihydro-5H-1,3-Dioxolo[4,5-f]isoindole structure
876503-22-9 structure
Product Name:6,7-dihydro-5H-1,3-Dioxolo[4,5-f]isoindole
CAS No:876503-22-9
MF:C9H9NO2
MW:163.173262357712
CID:1120204
PubChem ID:17804790
Update Time:2025-04-20

6,7-dihydro-5H-1,3-Dioxolo[4,5-f]isoindole Chemical and Physical Properties

Names and Identifiers

    • 6,7-dihydro-5H-1,3-Dioxolo[4,5-f]isoindole
    • 5H-?1,?3-?Dioxolo[4,?5-?f]?isoindole, 6,?7-?dihydro-
    • SCHEMBL4689086
    • 876503-22-9
    • SCHEMBL4689092
    • 6,7-dihydro-5H-[1,3]dioxolo[4,5-f]isoindole
    • DB-383068
    • Inchi: 1S/C9H9NO2/c1-6-3-10-4-7(6)2-9-8(1)11-5-12-9/h1-2,10H,3-5H2
    • InChI Key: LQOCMFGDZDNZAI-UHFFFAOYSA-N
    • SMILES: O1COC2C1=CC1CNCC=1C=2

Computed Properties

  • Exact Mass: 163.063328530g/mol
  • Monoisotopic Mass: 163.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 167
  • 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: 0.7
  • Topological Polar Surface Area: 30.5?2
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