Cas no 762243-26-5 (5-(3-Methylphenyl)cyclohexane-1,3-dione)

5-(3-Methylphenyl)cyclohexane-1,3-dione structure
762243-26-5 structure
Product Name:5-(3-Methylphenyl)cyclohexane-1,3-dione
CAS No:762243-26-5
MF:C13H14O2
MW:202.249063968658
CID:550190
PubChem ID:17606574
Update Time:2025-04-19

5-(3-Methylphenyl)cyclohexane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedione,5-(3-methylphenyl)-
    • 1,3-Cyclohexanedione,5-(3-methylphenyl)-(9CI)
    • 5-(3-Methylphenyl)cyclohexane-1,3-dione
    • CHEMBL1939180
    • MFCD08753427
    • A923193
    • AKOS002681598
    • SCHEMBL12676477
    • LS-05363
    • 762243-26-5
    • 5-(M-Tolyl)Cyclohexane-1,3-dione
    • ALBB-016952
    • 1,3-Cyclohexanedione, 5-(3-methylphenyl)-
    • STK508708
    • MDL： MFCD08753427
    • Inchi： 1S/C13H14O2/c1-9-3-2-4-10(5-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3
    • InChI Key： PNVNVCYTGLOTGK-UHFFFAOYSA-N
    • SMILES： O=C1CC(CC(C2C=CC=C(C)C=2)C1)=O

Computed Properties

  • Exact Mass: 202.09942
  • Monoisotopic Mass: 202.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 254
  • 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
  • Topological Polar Surface Area: 34.1A^2
  • XLogP3: 1.7

Experimental Properties

  • PSA: 34.14
  • LogP: 2.40070

5-(3-Methylphenyl)cyclohexane-1,3-dione Security Information

  • Storage Condition：(BD320380)

5-(3-Methylphenyl)cyclohexane-1,3-dione Pricemore >>

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