Cas no 4481-27-0 (3-formyl-5-methylbenzoic acid)

3-formyl-5-methylbenzoic acid structure
3-formyl-5-methylbenzoic acid structure
Product Name:3-formyl-5-methylbenzoic acid
CAS No:4481-27-0
MF:C9H8O3
MW:164.158022880554
MDL:MFCD20645804
CID:2152262
PubChem ID:19788173
Update Time:2025-04-21

3-formyl-5-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-formyl-5-methylbenzoic acid
    • 3-FORMYL-5-METHYLBENZOICACID
    • EAA48127
    • Z1262528438
    • DB-339370
    • BS-32453
    • AB76508
    • 5-Methylisophthalaldehydic Acid; 3-Formyl-5-methylbenzoic Acid; Uvitaldehydic Acid
    • N12736
    • SCHEMBL1174923
    • EN300-330170
    • CS-0196023
    • SFULMLBWHKPCAF-UHFFFAOYSA-N
    • 4481-27-0
    • MFCD20645804
    • 3-formyl-5-methyl-benzoic acid
    • 5-methyl-3-formyl-benzoic acid
    • MDL: MFCD20645804
    • Inchi: 1S/C9H8O3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-5H,1H3,(H,11,12)
    • InChI Key: SFULMLBWHKPCAF-UHFFFAOYSA-N
    • SMILES: OC(C1=CC(C=O)=CC(C)=C1)=O

Computed Properties

  • Exact Mass: 164.04700
  • Monoisotopic Mass: 164.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 188
  • 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: 1.3
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.37000
  • LogP: 1.50570

3-formyl-5-methylbenzoic acid Pricemore >>

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