Cas no 64168-39-4 (Benzaldehyde, 2,3,6-trihydroxy-)

Benzaldehyde, 2,3,6-trihydroxy- structure
64168-39-4 structure
Product Name:Benzaldehyde, 2,3,6-trihydroxy-
CAS No:64168-39-4
MF:C7H6O4
MW:154.120142459869
CID:424823
PubChem ID:12358156
Update Time:2025-04-19

Benzaldehyde, 2,3,6-trihydroxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2,3,6-trihydroxy-
    • 2,3,6-trihydroxybenzaldehyde
    • DTXSID20493879
    • SCHEMBL1002739
    • 64168-39-4
    • Inchi： 1S/C7H6O4/c8-3-4-5(9)1-2-6(10)7(4)11/h1-3,9-11H
    • InChI Key： PYVBGEUEQLAGGN-UHFFFAOYSA-N
    • SMILES： OC1C(=CC=C(C=1C=O)O)O

Computed Properties

  • Exact Mass: 154.02658
  • Monoisotopic Mass: 154.02660867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 147
  • 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: 0.9
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.76

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