Cas no 2228769-27-3 (3-(3-Fluoro-5-methylphenyl)pentanedioic acid)

3-(3-Fluoro-5-methylphenyl)pentanedioic acid structure
2228769-27-3 structure
Product Name:3-(3-Fluoro-5-methylphenyl)pentanedioic acid
CAS No:2228769-27-3
MF:C12H13FO4
MW:240.227627515793
CID:5752057
PubChem ID:165763470
Update Time:2023-11-14

3-(3-Fluoro-5-methylphenyl)pentanedioic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3-fluoro-5-methylphenyl)pentanedioic acid
    • EN300-1739208
    • 2228769-27-3
    • 3-(3-Fluoro-5-methylphenyl)pentanedioic acid
    • Inchi: 1S/C12H13FO4/c1-7-2-8(4-10(13)3-7)9(5-11(14)15)6-12(16)17/h2-4,9H,5-6H2,1H3,(H,14,15)(H,16,17)
    • InChI Key: ITPUFZQMRSODTK-UHFFFAOYSA-N
    • SMILES: FC1C=C(C)C=C(C=1)C(CC(=O)O)CC(=O)O

Computed Properties

  • Exact Mass: 240.07978705g/mol
  • Monoisotopic Mass: 240.07978705g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 276
  • 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: 1.4
  • Topological Polar Surface Area: 74.6?2

3-(3-Fluoro-5-methylphenyl)pentanedioic acid Pricemore >>

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