Cas no 3775-05-1 (Benzoic acid,3-formyl-2-hydroxy-, methyl ester)

Benzoic acid, 3-formyl-2-hydroxy-, methyl ester is a versatile organic compound featuring both aldehyde and ester functional groups, making it valuable in synthetic chemistry applications. Its structure, incorporating a formyl group at the 3-position and a hydroxyl group at the 2-position of the benzoic acid framework, enables its use as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. The methyl ester moiety enhances solubility in organic solvents, facilitating reactions such as condensations or further derivatizations. Its reactivity and stability under controlled conditions make it a practical choice for researchers requiring precise functional group transformations.
Benzoic acid,3-formyl-2-hydroxy-, methyl ester structure
3775-05-1 structure
Product Name:Benzoic acid,3-formyl-2-hydroxy-, methyl ester
CAS No:3775-05-1
MF:C9H8O4
MW:180.157423019409
CID:320986
PubChem ID:345559
Update Time:2025-05-28

Benzoic acid,3-formyl-2-hydroxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-formyl-2-hydroxy-, methyl ester
    • 3-formyl-2-hydroxybenzoic acid methyl ester; STOCK2S-09973; MCULE-6840935502; NSC403259; ZINC00507279; 3-methoxycarbonylsalicylaldehyde; 3-Formyl-2-hydroxy-benzoesaeure-methylester; AKOS005376848; STK011843; methyl 3-formylsalicylate; methyl 3-formyl-2-hydroxy-benzoate; 3-formyl-2-hydroxy-benzoic acid methyl ester; AC1L8315;
    • AKOS005376848
    • NSC-403259
    • NSC403259
    • 3775-05-1
    • 3-methoxycarbonylsalicylaldehyde
    • SCHEMBL7195201
    • DTXSID30323173
    • CS-0451842
    • methyl 3-formyl-2-hydroxybenzoate
    • KIGMFKZMNIHLSU-UHFFFAOYSA-N
    • Inchi： 1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-10)8(7)11/h2-5,11H,1H3
    • InChI Key： KIGMFKZMNIHLSU-UHFFFAOYSA-N
    • SMILES： OC1C(C=O)=CC=CC=1C(=O)OC

Computed Properties

  • Exact Mass: 180.04224
  • Monoisotopic Mass: 180.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 202
  • 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: 63.6?2

Experimental Properties

  • PSA: 63.6
  • LogP: 0.99130

Benzoic acid,3-formyl-2-hydroxy-, methyl ester Pricemore >>

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