Cas no 89048-20-4 (Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl-)

Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl- structure
89048-20-4 structure
Product Name:Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl-
CAS No:89048-20-4
MF:C12H16O4
MW:224.253044128418
CID:614452
PubChem ID:2752035
Update Time:2025-04-19

Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl-
    • 2,5-dimethoxy-3,4,6-trimethylbenzoic acid
    • SCHEMBL10474965
    • AKOS004907080
    • DTXSID00372870
    • UCEUSYURLZSDFH-UHFFFAOYSA-N
    • 89048-20-4
    • Inchi: 1S/C12H16O4/c1-6-7(2)11(16-5)9(12(13)14)8(3)10(6)15-4/h1-5H3,(H,13,14)
    • InChI Key: UCEUSYURLZSDFH-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C)C(C(=O)O)=C(C(C)=C1C)OC

Computed Properties

  • Exact Mass: 224.10485899g/mol
  • Monoisotopic Mass: 224.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 253
  • 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: 2.5
  • Topological Polar Surface Area: 55.8?2
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