Cas no 50790-68-6 (Benzoic acid, 5-hydroxy-2,4-dimethyl-)

Benzoic acid, 5-hydroxy-2,4-dimethyl- structure
50790-68-6 structure
Product Name:Benzoic acid, 5-hydroxy-2,4-dimethyl-
CAS No:50790-68-6
MF:C9H10O3
MW:166.173902988434
CID:1569264
PubChem ID:10899047
Update Time:2025-04-21

Benzoic acid, 5-hydroxy-2,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-hydroxy-2,4-dimethyl-
    • 5-hydroxy-2,4-dimethylbenzoic acid
    • DA-05364
    • 50790-68-6
    • SCHEMBL13199099
    • 5-hydroxy-2,4-dimethyl-benzoic Acid
    • Inchi： 1S/C9H10O3/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
    • InChI Key： USURWULBDIUJLN-UHFFFAOYSA-N
    • SMILES： OC1=CC(C(=O)O)=C(C)C=C1C

Computed Properties

  • Exact Mass: 166.063
  • Monoisotopic Mass: 166.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 179
  • 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: 1.8
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

Benzoic acid, 5-hydroxy-2,4-dimethyl- Pricemore >>

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