Cas no 89296-77-5 (Propanoic acid, 2-methyl-, 1-iodoethyl ester)

Propanoic acid, 2-methyl-, 1-iodoethyl ester structure
89296-77-5 structure
Product Name:Propanoic acid, 2-methyl-, 1-iodoethyl ester
CAS No:89296-77-5
MF:C6H11IO2
MW:242.054814577103
CID:604966
PubChem ID:14633820
Update Time:2025-04-19

Propanoic acid, 2-methyl-, 1-iodoethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2-methyl-, 1-iodoethyl ester
    • 1-iodoethyl 2-methylpropanoate
    • 89296-77-5
    • WWCCPBIJQCYIPE-UHFFFAOYSA-N
    • 1-iodoethyl-2-methylpropanoate
    • DTXSID30562409
    • isobutyric acid 1-iodo-ethyl ester
    • SCHEMBL1264920
    • Inchi: 1S/C6H11IO2/c1-4(2)6(8)9-5(3)7/h4-5H,1-3H3
    • InChI Key: WWCCPBIJQCYIPE-UHFFFAOYSA-N
    • SMILES: IC(C)OC(C(C)C)=O

Computed Properties

  • Exact Mass: 241.98038g/mol
  • Monoisotopic Mass: 241.98038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 101
  • 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: 2.3
  • Topological Polar Surface Area: 26.3?2
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