Cas no 19722-76-0 (Methyl 2,6-dihydroxy-4-methoxybenzoate)

Methyl 2,6-dihydroxy-4-methoxybenzoate structure
19722-76-0 structure
Product Name:Methyl 2,6-dihydroxy-4-methoxybenzoate
CAS No:19722-76-0
MF:C9H10O5
MW:198.172703266144
CID:908355
PubChem ID:264369
Update Time:2025-04-19

Methyl 2,6-dihydroxy-4-methoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,6-dihydroxy-4-methoxybenzoate
    • 2,6-Dihydroxy-4-methoxy-benzoesaeuremethylester
    • 2,6-Dihydroxy-4-methoxy-benzoesaeure-methylester
    • 2,6-dihydroxy-4-methoxy-benzoic acid methyl ester
    • 2.6-Dioxy-4-methoxy-benzoesaeure-methylester
    • AC1L6BQE
    • AC1Q5Z35
    • AR-1J4575
    • CTK4E2131
    • methyl-2,6-dihydroxy-4-methoxybenzoate
    • NCIOpen2_002169
    • NSC99444
    • SureCN6493747
    • JSZHZLWKXWFJCG-UHFFFAOYSA-N
    • DTXSID20295052
    • NSC-99444
    • SCHEMBL6493747
    • 19722-76-0
    • Benzoic acid, 2,6-dihydroxy-4-methoxy-, methyl ester
    • F81234
    • Inchi： 1S/C9H10O5/c1-13-5-3-6(10)8(7(11)4-5)9(12)14-2/h3-4,10-11H,1-2H3
    • InChI Key： JSZHZLWKXWFJCG-UHFFFAOYSA-N
    • SMILES： O(C)C1C=C(C(C(=O)OC)=C(C=1)O)O

Computed Properties

  • Exact Mass: 198.0528
  • Monoisotopic Mass: 198.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 76A^2
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.337
  • Boiling Point: 335.6°Cat760mmHg
  • Flash Point: 134.7°C
  • Refractive Index: 1.567
  • PSA: 75.99
  • LogP: 0.89300

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