Cas no 67730-50-1 (2,4-Bis(hydroxymethyl)-3,5-dimethylphenol)

2,4-Bis(hydroxymethyl)-3,5-dimethylphenol structure
67730-50-1 structure
Product Name:2,4-Bis(hydroxymethyl)-3,5-dimethylphenol
CAS No:67730-50-1
MF:C10H14O3
MW:182.216363430023
CID:2798317
PubChem ID:71367739
Update Time:2025-04-21

2,4-Bis(hydroxymethyl)-3,5-dimethylphenol Chemical and Physical Properties

Names and Identifiers

    • 67730-50-1
    • 2,4-Bis(hydroxymethyl)-3,5-dimethylphenol
    • DTXSID10790849
    • Inchi: 1S/C10H14O3/c1-6-3-10(13)9(5-12)7(2)8(6)4-11/h3,11-13H,4-5H2,1-2H3
    • InChI Key: XUUSEXAKAGXSJX-UHFFFAOYSA-N
    • SMILES: OC1C=C(C)C(CO)=C(C)C=1CO

Computed Properties

  • Exact Mass: 182.094294304Da
  • Monoisotopic Mass: 182.094294304Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 160
  • 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: 1.1
  • Topological Polar Surface Area: 60.7?2
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