Cas no 83171-42-0 (Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester)

Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester structure
83171-42-0 structure
Product Name:Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester
CAS No:83171-42-0
MF:C18H18O6
MW:330.331925868988
CID:1807328
PubChem ID:9549859
Update Time:2025-04-21

Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-methoxy-, 2-acetyl-3,5-dimethoxyphenyl ester
    • (2-acetyl-3,5-dimethoxyphenyl) 4-methoxybenzoate
    • MLS000438928
    • 83171-42-0
    • NCGC00090472-01
    • SCHEMBL1976110
    • HMS2220L04
    • CMLD3_000268
    • SMR000112955
    • CHEMBL1410335
    • DTXSID10429561
    • NCGC00090472-02
    • HMS3330G21
    • Inchi: 1S/C18H18O6/c1-11(19)17-15(23-4)9-14(22-3)10-16(17)24-18(20)12-5-7-13(21-2)8-6-12/h5-10H,1-4H3
    • InChI Key: BEEPCCLHKSMYTD-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=CC=1)OC)=O)C1C=C(C=C(C=1C(C)=O)OC)OC

Computed Properties

  • Exact Mass: 330.11033829g/mol
  • Monoisotopic Mass: 330.11033829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 429
  • 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: 2.9
  • Topological Polar Surface Area: 71.1?2

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