Cas no 260969-02-6 (Methyl 3-(3-iodophenyl)-3-oxopropanoate)

Methyl 3-(3-iodophenyl)-3-oxopropanoate structure
260969-02-6 structure
Product Name:Methyl 3-(3-iodophenyl)-3-oxopropanoate
CAS No:260969-02-6
MF:C10H9IO3
MW:304.081135511398
CID:1425116
PubChem ID:2759371
Update Time:2025-04-20

Methyl 3-(3-iodophenyl)-3-oxopropanoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(3-iodophenyl)-3-oxopropanoate
    • 3-(3-IODO-PHENYL)-3-OXO-PROPIONIC ACID METHYLESTER
    • 3-(3-Iodo-phenyl)-3-oxo-propionic acid methyl ester
    • methyl3-(3-iodophenyl)-3-oxopropanoate
    • 260969-02-6
    • MDL: MFCD03424776
    • Inchi: 1S/C10H9IO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
    • InChI Key: KWKDVTLCPLPCLT-UHFFFAOYSA-N
    • SMILES: IC1=CC=CC(=C1)C(CC(=O)OC)=O

Computed Properties

  • Exact Mass: 303.95964g/mol
  • Monoisotopic Mass: 303.95964g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • 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: 2.3
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 339.7±22.0 °C at 760 mmHg
  • Flash Point: 159.3±22.3 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Methyl 3-(3-iodophenyl)-3-oxopropanoate Security Information

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