Cas no 52249-80-6 (Benzaldehyde, 2,4-dihydroxy-3,6-dimethoxy-)

Benzaldehyde, 2,4-dihydroxy-3,6-dimethoxy- structure
52249-80-6 structure
Product Name:Benzaldehyde, 2,4-dihydroxy-3,6-dimethoxy-
CAS No:52249-80-6
MF:C9H10O5
MW:198.172703266144
CID:360101
PubChem ID:71365717
Update Time:2025-04-19

Benzaldehyde, 2,4-dihydroxy-3,6-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2,4-dihydroxy-3,6-dimethoxy-
    • 2,4-dihydroxy-3,6-dimethoxybenzaldehyde
    • DTXSID70789113
    • 52249-80-6
    • Inchi: 1S/C9H10O5/c1-13-7-3-6(11)9(14-2)8(12)5(7)4-10/h3-4,11-12H,1-2H3
    • InChI Key: CGKQZJCKLYVFPW-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C(=C(C=1C=O)O)OC)O

Computed Properties

  • Exact Mass: 198.0528
  • Monoisotopic Mass: 198.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 196
  • 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: 1.2
  • Topological Polar Surface Area: 76?2

Experimental Properties

  • PSA: 75.99

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