Cas no 69797-46-2 (4-(3-Fluorophenyl)-4-oxobutanoic acid)

4-(3-Fluorophenyl)-4-oxobutanoic acid structure
69797-46-2 structure
Product Name:4-(3-Fluorophenyl)-4-oxobutanoic acid
CAS No:69797-46-2
MF:C10H9FO3
MW:196.175066709518
MDL:MFCD01320062
CID:835924
PubChem ID:2759124
Update Time:2025-04-19

4-(3-Fluorophenyl)-4-oxobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Fluorobenzoyl)propionic acid
    • 4-(3-fluorophenyl)-4-oxobutanoic acid
    • 4-(3-Fluorophenyl)-4-oxobutyric acid
    • 3-(m-fluorobenzoyl)propionic acid
    • 4-(3'-fluorophenyl)-4-oxo-butanoic acid
    • AC1MBZOZ
    • AG-G-72315
    • CTK5D1366
    • KB-71499
    • SureCN2691520
    • HHVYNFFVNGZSNG-UHFFFAOYSA-N
    • 3253AH
    • 4-(3-fluorophenyl)-4-oxobutanoicacid
    • NE34709
    • 4-(3-fluoro-phenyl)-4-oxo-butyric acid
    • Z1582263852
    • 69797-46-2
    • SY143661
    • SCHEMBL2691520
    • AB9385
    • CS-M0805
    • DTXSID80374650
    • 4-(3-Fluorophenyl)-4-oxobutyricacid
    • AKOS010909594
    • CS-13510
    • EN300-119378
    • MFCD01320062
    • Z838955774
    • 4-(3-Fluorophenyl)-4-oxobutanoic acid
    • MDL: MFCD01320062
    • Inchi: 1S/C10H9FO3/c11-8-3-1-2-7(6-8)9(12)4-5-10(13)14/h1-3,6H,4-5H2,(H,13,14)
    • InChI Key: HHVYNFFVNGZSNG-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C(CCC(=O)O)=O

Computed Properties

  • Exact Mass: 196.05400
  • Monoisotopic Mass: 196.05357231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 227
  • 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: 54.4

Experimental Properties

  • Melting Point: 86-88°C
  • PSA: 54.37000
  • LogP: 1.87320

4-(3-Fluorophenyl)-4-oxobutanoic acid Security Information

4-(3-Fluorophenyl)-4-oxobutanoic acid Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

4-(3-Fluorophenyl)-4-oxobutanoic acid Pricemore >>

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