Cas no 918668-57-2 (Benzoic acid, 2-formyl-5-hydroxy-3-methoxy-)

Benzoic acid, 2-formyl-5-hydroxy-3-methoxy- structure
918668-57-2 structure
Product Name:Benzoic acid, 2-formyl-5-hydroxy-3-methoxy-
CAS No:918668-57-2
MF:C9H8O5
MW:196.156823158264
CID:771575
PubChem ID:44421882
Update Time:2025-04-19

Benzoic acid, 2-formyl-5-hydroxy-3-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-formyl-5-hydroxy-3-methoxy-
    • 2-formyl-5-hydroxy-3-methoxybenzoic acid
    • 918668-57-2
    • DTXSID40658923
    • CHEMBL223944
    • Inchi: 1S/C9H8O5/c1-14-8-3-5(11)2-6(9(12)13)7(8)4-10/h2-4,11H,1H3,(H,12,13)
    • InChI Key: IUOZSRREQSUYNI-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(=CC(C(=O)O)=C1C=O)O

Computed Properties

  • Exact Mass: 196.03717335g/mol
  • Monoisotopic Mass: 196.03717335g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 227
  • 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: 0.5
  • Topological Polar Surface Area: 83.8?2
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