Cas no 88208-98-4 (Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester)

Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester structure
88208-98-4 structure
Product Name:Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester
CAS No:88208-98-4
MF:C17H26O4
MW:294.385945796967
CID:641210
PubChem ID:69383446
Update Time:2025-04-19

Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneheptanoic acid, 3,5-dimethoxy-, ethyl ester
    • ethyl 7-(3,5-dimethoxyphenyl)heptanoate
    • 88208-98-4
    • SCHEMBL5276845
    • DTXSID50740383
    • Inchi: 1S/C17H26O4/c1-4-21-17(18)10-8-6-5-7-9-14-11-15(19-2)13-16(12-14)20-3/h11-13H,4-10H2,1-3H3
    • InChI Key: JAGBSYCGTMFPFK-UHFFFAOYSA-N
    • SMILES: O(CC)C(CCCCCCC1C=C(C=C(C=1)OC)OC)=O

Computed Properties

  • Exact Mass: 294.18310931g/mol
  • Monoisotopic Mass: 294.18310931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 11
  • Complexity: 268
  • 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: 4.3
  • Topological Polar Surface Area: 44.8?2
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