Cas no 906345-00-4 (1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-2-(phenylmethyl)-)

1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-2-(phenylmethyl)- structure
906345-00-4 structure
Product Name:1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-2-(phenylmethyl)-
CAS No:906345-00-4
MF:C15H13NO2
MW:239.269223928452
CID:788523
PubChem ID:11844631
Update Time:2025-04-19

1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-2-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-2-(phenylmethyl)-
    • 2-benzyl-5-hydroxy-3H-isoindol-1-one
    • DTXSID30474311
    • 906345-00-4
    • SCHEMBL5282876
    • Inchi: 1S/C15H13NO2/c17-13-6-7-14-12(8-13)10-16(15(14)18)9-11-4-2-1-3-5-11/h1-8,17H,9-10H2
    • InChI Key: YFGJYUYFYLESGB-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC(=CC=2CN1CC1C=CC=CC=1)O

Computed Properties

  • Exact Mass: 239.094628657g/mol
  • Monoisotopic Mass: 239.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 312
  • 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: 2.1
  • Topological Polar Surface Area: 40.5?2
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