Cas no 62502-02-7 (Benzoic acid, 3-ethoxy-5-methoxy-, methyl ester)

Benzoic acid, 3-ethoxy-5-methoxy-, methyl ester structure
62502-02-7 structure
Product Name:Benzoic acid, 3-ethoxy-5-methoxy-, methyl ester
CAS No:62502-02-7
MF:C11H14O4
MW:210.226463794708
CID:442452
PubChem ID:71385776
Update Time:2025-04-19

Benzoic acid, 3-ethoxy-5-methoxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-ethoxy-5-methoxy-, methyl ester
    • methyl 3-ethoxy-5-methoxybenzoate
    • 62502-02-7
    • DTXSID00807990
    • E98110
    • Inchi: 1S/C11H14O4/c1-4-15-10-6-8(11(12)14-3)5-9(7-10)13-2/h5-7H,4H2,1-3H3
    • InChI Key: FORKMRHNCILIHY-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=C(C=C(C(=O)OC)C=1)OC

Computed Properties

  • Exact Mass: 210.08922
  • Monoisotopic Mass: 210.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 205
  • 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: 2.1
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76

Benzoic acid, 3-ethoxy-5-methoxy-, methyl ester Pricemore >>

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