Cas no 89068-34-8 (1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-)

1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl- structure
89068-34-8 structure
Product Name:1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-
CAS No:89068-34-8
MF:C10H15NO2
MW:181.231602907181
CID:613688
PubChem ID:71321897
Update Time:2025-04-19

1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-
    • 3a,7a-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-dione
    • 3a,7a-Dimethylhexahydro-1H-isoindole-1,3(2H)-dione
    • DTXSID20751643
    • 89068-34-8
    • Inchi: 1S/C10H15NO2/c1-9-5-3-4-6-10(9,2)8(13)11-7(9)12/h3-6H2,1-2H3,(H,11,12,13)
    • InChI Key: NVSCNSJAMNBQLI-UHFFFAOYSA-N
    • SMILES: O=C1C2(C)CCCCC2(C)C(N1)=O

Computed Properties

  • Exact Mass: 181.110278721g/mol
  • Monoisotopic Mass: 181.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 259
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 46.2?2
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