Cas no 823789-50-0 (Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester)

Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester structure
823789-50-0 structure
Product Name:Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester
CAS No:823789-50-0
MF:C11H13IO4
MW:336.122996091843
CID:693366
PubChem ID:16204082
Update Time:2025-04-19

Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester
    • methyl 3-iodo-2,4-dimethoxy-6-methylbenzoate
    • DTXSID60583309
    • 823789-50-0
    • Inchi: 1S/C11H13IO4/c1-6-5-7(14-2)9(12)10(15-3)8(6)11(13)16-4/h5H,1-4H3
    • InChI Key: ZUHGXUIXPBCPST-UHFFFAOYSA-N
    • SMILES: IC1C(=CC(C)=C(C(=O)OC)C=1OC)OC

Computed Properties

  • Exact Mass: 335.98586g/mol
  • Monoisotopic Mass: 335.98586g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 246
  • 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: 2.7
  • Topological Polar Surface Area: 44.8?2
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