Cas no 62648-55-9 (Benzaldehyde, 5-hydroxy-2,3-dimethoxy-)

Benzaldehyde, 5-hydroxy-2,3-dimethoxy- structure
62648-55-9 structure
Product Name:Benzaldehyde, 5-hydroxy-2,3-dimethoxy-
CAS No:62648-55-9
MF:C9H10O4
MW:182.173303127289
CID:436487
PubChem ID:15696637
Update Time:2025-04-19

Benzaldehyde, 5-hydroxy-2,3-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 5-hydroxy-2,3-dimethoxy-
    • 5-hydroxy-2,3-dimethoxybenzaldehyde
    • DTXSID40576991
    • 62648-55-9
    • Inchi: 1S/C9H10O4/c1-12-8-4-7(11)3-6(5-10)9(8)13-2/h3-5,11H,1-2H3
    • InChI Key: STRSHWWUDUCXMO-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C=O)=CC(=CC=1OC)O

Computed Properties

  • Exact Mass: 182.0579
  • Monoisotopic Mass: 182.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 171
  • 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
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76
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