Cas no 89237-07-0 (1,3-Cyclohexanedione, 4-(phenylmethyl)-)

1,3-Cyclohexanedione, 4-(phenylmethyl)- structure
89237-07-0 structure
Product Name:1,3-Cyclohexanedione, 4-(phenylmethyl)-
CAS No:89237-07-0
MF:C13H14O2
MW:202.249063968658
CID:607461
PubChem ID:13115150
Update Time:2025-04-19

1,3-Cyclohexanedione, 4-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedione, 4-(phenylmethyl)-
    • 4-benzylcyclohexane-1,3-dione
    • 89237-07-0
    • DTXSID50519132
    • SCHEMBL10969807
    • Inchi： 1S/C13H14O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
    • InChI Key： MWKUZDQNPHIKKD-UHFFFAOYSA-N
    • SMILES： O=C1CC(CCC1CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 202.099379685g/mol
  • Monoisotopic Mass: 202.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 251
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 34.1?2

1,3-Cyclohexanedione, 4-(phenylmethyl)- Related Literature

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