Cas no 51671-72-8 (2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid)

2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid structure
51671-72-8 structure
Product Name:2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid
CAS No:51671-72-8
MF:C15H12O4
MW:256.253384590149
CID:1573511
PubChem ID:15932722
Update Time:2025-04-21

2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid
    • LogP
    • 2-(4-hydroxy-3-methylbenzoyl)benzoic acid
    • SCHEMBL9450667
    • DTXSID70579778
    • A849710
    • 51671-72-8
    • Inchi： 1S/C15H12O4/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8,16H,1H3,(H,18,19)
    • InChI Key： RMZFGNDHKOVCFO-UHFFFAOYSA-N
    • SMILES： OC1=CC=C(C=C1C)C(C1C=CC=CC=1C(=O)O)=O

Computed Properties

  • Exact Mass: 256.07356
  • Monoisotopic Mass: 256.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 352
  • 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: 2.8
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6

2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydroxylamine, sulfate Solvents: Water
1.2 Reagents: Potassium hydroxide Solvents: Water
1.3 Reagents: Acetic acid
1.4 Reagents: Sulfuric acid
Reference
3,3-Diarylphthalides. Part I. Friedlaender reaction of 3'-alkylphenolphthaleins
Ruminski, J. K., Polish Journal of Chemistry, 1997, 71(7), 908-914

2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid Raw materials

2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid Preparation Products

2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid Related Literature

51671-72-8 (2-[(4-hydroxy-3-methylphenyl)carbonyl]benzoic acid) Related Products

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