Cas no 845790-38-7 (5-(3-Fluorophenyl)-5-oxovaleric acid)

5-(3-Fluorophenyl)-5-oxovaleric acid structure
845790-38-7 structure
Product Name:5-(3-Fluorophenyl)-5-oxovaleric acid
CAS No:845790-38-7
MF:C11H11FO3
MW:210.201647043228
CID:869470
PubChem ID:2759127
Update Time:2025-04-19

5-(3-Fluorophenyl)-5-oxovaleric acid Chemical and Physical Properties

Names and Identifiers

    • 5-(3-fluorophenyl)-5-oxopentanoic acid
    • 5-(3-Fluorophenyl)-5-oxovaleric acid
    • VEF7WY95UX
    • Benzenepentanoic acid, 3-fluoro-delta-oxo-
    • MFCD01320063
    • 5-(3-fluorophenyl)-5-oxopentanoicacid
    • SB38975
    • F87546
    • DTXSID00374652
    • 845790-38-7
    • SCHEMBL8846361
    • 5-(3-Fluoro-phenyl)-5-oxo-pentanoic acid
    • 3-Fluoro-delta-oxobenzenepentanoic acid
    • AKOS016022482
    • SY351511
    • MDL： MFCD01320063
    • Inchi： 1S/C11H11FO3/c12-9-4-1-3-8(7-9)10(13)5-2-6-11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
    • InChI Key： VMDBDUOSNLRJAG-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC(=C1)C(CCCC(=O)O)=O

Computed Properties

  • Exact Mass: 210.06900
  • Monoisotopic Mass: 210.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 240
  • 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: 1.5
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.241
  • Boiling Point: 387.9°C at 760 mmHg
  • Flash Point: 188.4°C
  • Refractive Index: 1.523
  • PSA: 54.37000
  • LogP: 2.26330

5-(3-Fluorophenyl)-5-oxovaleric acid Security Information

5-(3-Fluorophenyl)-5-oxovaleric acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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eNovation Chemicals LLC
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eNovation Chemicals LLC
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eNovation Chemicals LLC
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