Cas no 139590-63-9 (2-fluoro-3-methoxy-3-oxopropanoic Acid)

2-fluoro-3-methoxy-3-oxopropanoic Acid structure
139590-63-9 structure
Product Name:2-fluoro-3-methoxy-3-oxopropanoic Acid
CAS No:139590-63-9
MF:C4H5FO4
MW:136.078505277634
CID:1276809
PubChem ID:15176477
Update Time:2025-04-20

2-fluoro-3-methoxy-3-oxopropanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-fluoro-3-methoxy-3-oxopropanoic Acid
    • 2-Fluoroisovanillin
    • AG-H-18628
    • Benzaldehyde, 2-fluoro-3-hydroxy-4-methoxy-
    • CTK5E6770
    • 2-fluoro-3-hydroxy-4-methoxy-benzaldehyde
    • AKOS006290000
    • Benzaldehyde,2-fluoro-3-hydroxy-4-methoxy-
    • AC1Q4CCD
    • AC1LCB4F
    • 2-fluoro-malonic acid monomethyl ester
    • 2-Fluoroisovanillin; AG-H-18628; Benzaldehyde, 2-fluoro-3-hydroxy-4-methoxy-; CTK5E6770; 2-fluoro-3-hydroxy-4-methoxy-benzaldehyde; AKOS006290000; Benzaldehyde,2-fluoro-3-hydroxy-4-methoxy-; AC1Q4CCD; AC1LCB4F; 2-fluoro-malonic acid monomethyl ester; 2-fluoroisovanillin;
    • AKOS006379084
    • PAUCQWVLVBSCTP-UHFFFAOYSA-N
    • SCHEMBL224303
    • 139590-63-9
    • Inchi: 1S/C4H5FO4/c1-9-4(8)2(5)3(6)7/h2H,1H3,(H,6,7)
    • InChI Key: PAUCQWVLVBSCTP-UHFFFAOYSA-N
    • SMILES: FC(C(=O)O)C(=O)OC

Computed Properties

  • Exact Mass: 136.01718680g/mol
  • Monoisotopic Mass: 136.01718680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 133
  • 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: 0.3
  • Topological Polar Surface Area: 63.6?2
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