Cas no 773872-85-8 (4-(3-Hydroxymethylphenyl)benzoic acid)

4-(3-Hydroxymethylphenyl)benzoic acid is a bifunctional aromatic compound featuring both a carboxylic acid and a hydroxymethyl group on its phenyl rings. This structure makes it a versatile intermediate in organic synthesis, particularly for constructing complex molecules in pharmaceuticals and advanced materials. The hydroxymethyl group offers reactivity for further functionalization, while the benzoic acid moiety provides a handle for conjugation or salt formation. Its rigid aromatic backbone contributes to stability, making it suitable for applications requiring precise molecular architecture. The compound is typically used in research settings for developing drug candidates, polymer precursors, or liquid crystal materials, where controlled derivatization is critical.
4-(3-Hydroxymethylphenyl)benzoic acid structure
773872-85-8 structure
Product Name:4-(3-Hydroxymethylphenyl)benzoic acid
CAS No:773872-85-8
MF:C14H12O3
MW:228.243284225464
MDL:MFCD06203071
CID:552271
PubChem ID:15398717
Update Time:2025-06-07

4-(3-Hydroxymethylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carboxylic acid
    • [1,1'-Biphenyl]-4-carboxylicacid, 3'-(hydroxymethyl)-
    • 4-(3-HYDROXYMETHYLPHENYL)BENZOIC ACID
    • 3'-(Hydroxymethyl)[1,1'-biphenyl]-4-carboxylic acid
    • ACMC-209p9p
    • AGN-PC-00P4F9
    • CTK2H6021
    • MolPort-000-927-671
    • SureCN4140814
    • DTXSID10572384
    • AS-3216
    • AKOS004118897
    • YFB87285
    • SCHEMBL4140814
    • CS-0207428
    • 4-[3-(hydroxymethyl)phenyl]benzoic acid
    • BB 0223687
    • 3'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carboxylicacid
    • 773872-85-8
    • MFCD06203071
    • 4-(3-Hydroxymethylphenyl)benzoic acid
    • MDL: MFCD06203071
    • Inchi: 1S/C14H12O3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-8,15H,9H2,(H,16,17)
    • InChI Key: HPXYVZSLBXTFMD-UHFFFAOYSA-N
    • SMILES: OCC1C=CC=C(C=1)C1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 228.07866
  • Monoisotopic Mass: 228.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 256
  • 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: 2.6
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

4-(3-Hydroxymethylphenyl)benzoic acid Pricemore >>

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